Geometry & MOs

Info

ID:	85821
PubChem CID:	49879571
Reduced:	Cl2N3H18C22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	225.04308
ΔH_f, kcal/mol:	98.8
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.270654
Charge, e:	-1

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl.[Cl-]

DOS

IR

Vibrations