Geometry & MOs

Info

ID:	71966
PubChem CID:	48415666
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	3.47
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)N(C)CCCC2=NC3=CC=CC=C3N2)S(=O)(=O)C

DOS

IR

Vibrations