Geometry & MOs

Info

ID:	72036
PubChem CID:	48415740
Reduced:	BrO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	343.108754
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	5.47
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-chloro-2-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations