Geometry & MOs

Info

ID:	20430
PubChem CID:	583923
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	63.82
Dipole, Da:	3.1
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethylocta-2,4,6-trienylideneamino)acetonitrile

Drug info:

PubChemData

Smile

CC(=CC=CC(=CC=NCC#N)C)C

DOS

IR

Vibrations