Geometry & MOs

Info

ID:	72098
PubChem CID:	48415809
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	313.215413
ΔH_f, kcal/mol:	50.25
Dipole, Da:	6.66
IP(EA), eV:	-8.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-cyclohexyl-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations