Geometry & MOs

Info

ID:	52181
PubChem CID:	12014980
Reduced:	ON4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	200.069811
ΔH_f, kcal/mol:	106.27
Dipole, Da:	3.47
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzimidazol-1-yl)-N-prop-2-ynylnitrous amide

Drug info:

PubChemData

Smile

C=CCN(N=O)N1C=NC2=CC=CC=C21

DOS

IR

Vibrations