Geometry & MOs

Info

ID:	72102
PubChem CID:	48415814
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	5.42
IP(EA), eV:	-8.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations