Geometry & MOs

Info

ID:	72057
PubChem CID:	48415764
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	82.05
Dipole, Da:	4.64
IP(EA), eV:	-9.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations