Geometry & MOs

Info

ID:	72136
PubChem CID:	48415848
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	29.54
Dipole, Da:	3.51
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations