Geometry & MOs

Info

ID:	438965
PubChem CID:	135228726
Reduced:	ON3C28H37 (1)
Stoich.:	AB3C28D37 (1)
Weight, g/mol:	431.3552
ΔH_f, kcal/mol:	-3.84
Dipole, Da:	7.65
IP(EA), eV:	-7.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[4-[(E,5Z)-5-ethylidene-4,6-dimethylidenenon-2-en-2-yl]-2-methyl-5-(2,3,3-trimethylbutyl)phenyl]but-2-en-1-imine

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=O)C)C(C)(C)C)/C(=C/N)/C=NC(C)C

DOS

IR

Vibrations