Geometry & MOs

Info

ID:	360568
PubChem CID:	127301213
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	26.54
Dipole, Da:	7.29
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)CN3CCC(CC3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations