Geometry & MOs

Info

ID:	438871
PubChem CID:	135228630
Reduced:	NC31H39 (1)
Stoich.:	AB31C39 (1)
Weight, g/mol:	493.22868
ΔH_f, kcal/mol:	91.38
Dipole, Da:	4.89
IP(EA), eV:	-8.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E)-1-[3-tert-butyl-7-methoxy-2-methylidene-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydronaphthalen-1-ylidene]-5-ethoxy-3-ethylidenepentane-2,4-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C(\C=C)/C1=CC(=C(C=C1C)/C(=C/C(=C)/C(=C\C)/C(=C=C)C#N)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C(\C=C)/C1=CC(=C(C=C1C)/C(=C/C(=C)/C(=C\C)/C(=C=C)C#N)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):