Geometry & MOs

Info

ID:

426255

PubChem CID:

135142941

Reduced:

O2N4C21H30 (1)

Stoich.:

A2B4C21D30 (1)

Weight, g/mol:

352.237545

ΔHf, kcal/mol:

-59.21

Dipole, Da:

5.86

IP(EA), eV:

 -9.15(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-N-[3-[(4E,5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-4-[(methylideneamino)methylidene]imidazol-2-yl]prop-1-en-2-yl]pyrazol-4-amine

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N([C@H](N1C(=O)N(C)C2=CC=C(C=C2)C#N)C(C)(C)C)C

DOS

IR

Vibrations