Geometry & MOs

Info

ID:	267409
PubChem CID:	103582145
Reduced:	BrClN2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	348.99814
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	4.96
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromo-3-chlorophenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2=CC3=C(C=C2)OC(=O)N3)Cl)Br

DOS

IR

Vibrations