Geometry & MOs

Info

ID:	71996
PubChem CID:	48415698
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	327.231063
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	2.91
IP(EA), eV:	-8.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations