Geometry & MOs

Info

ID:	72233
PubChem CID:	48415952
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	5.17
Dipole, Da:	6.42
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-hydroxy-N,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations