Geometry & MOs

Info

ID:	193498
PubChem CID:	78400751
Reduced:	N2O5C20H34 (1)
Stoich.:	A2B5C20D34 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-268.1
Dipole, Da:	9.19
IP(EA), eV:	-9.6(0.02)
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-oxo-4-(1-phenylethylideneamino)oxybutanenitrile

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OCC

DOS

IR

Vibrations