Geometry & MOs

Info

ID:	289472
PubChem CID:	104356560
Reduced:	BrClNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	350.9774
ΔH_f, kcal/mol:	-120.84
Dipole, Da:	7.34
IP(EA), eV:	-10.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[amino-(3-bromo-2-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations