Geometry & MOs

Info

ID:	207194
PubChem CID:	80358428
Reduced:	BrCl2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	272.023166
ΔH_f, kcal/mol:	57.15
Dipole, Da:	6.52
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-5,6-dichlorobenzimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C3=CC(=C(C=C3N=C2N)Cl)Cl)Br

DOS

IR

Vibrations