Geometry & MOs

Info

ID:	27360
PubChem CID:	820915
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	186.103122
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	5.34
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-3-prop-2-ynylbenzimidazol-3-ium-1-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC2=CC=CC=C21)C=O

DOS

IR

Vibrations