Geometry & MOs

Info

ID:	193635
PubChem CID:	78416579
Reduced:	OCl2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	385.215413
ΔH_f, kcal/mol:	55.43
Dipole, Da:	4.87
IP(EA), eV:	-8.14(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(6-methylidene-1H-benzimidazol-2-ylidene)propanenitrile

Drug info:

PubChemData

Smile

C1CNCCC1=CNN=C2C=CC3=C(C=C(C(=O)C3=N2)Cl)Cl

DOS

IR

Vibrations