Geometry & MOs

Info

ID:	155739
PubChem CID:	56367279
Reduced:	ClN2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	1.47
IP(EA), eV:	-9.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(butanoylamino)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2(CCOCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations