Geometry & MOs

Info

ID:	72097
PubChem CID:	48415808
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	14.99
Dipole, Da:	3.53
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-cyano-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations