Geometry & MOs

Info

ID:	72077
PubChem CID:	48415788
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	398.150954
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	2.99
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-3-oxopropyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations