Geometry & MOs

Info

ID:	71932
PubChem CID:	48415632
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	7.26
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methylquinoline-8-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3

DOS

IR

Vibrations