Geometry & MOs

Info

ID:	276876
PubChem CID:	103825528
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C(=N/O)/N)OC

DOS

IR

Vibrations