Geometry & MOs

Info

ID:	72063
PubChem CID:	48415771
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	19.86
Dipole, Da:	6.29
IP(EA), eV:	-8.55(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-chloro-4-ethoxy-5-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations