Geometry & MOs

Info

ID:	193388
PubChem CID:	78386883
Reduced:	O3N4H10C17 (1)
Stoich.:	A3B4C10D17 (1)
Weight, g/mol:	335.059217
ΔH_f, kcal/mol:	131.99
Dipole, Da:	10.49
IP(EA), eV:	-9.26(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)-3-(2,4-dichlorophenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C=C1C=CC2=NC(=C(C=C3C=CC(=O)C(=C3)[N+](=O)[O-])C#N)NC2=C1

DOS

IR

Vibrations