Geometry & MOs

Info

ID:	91946
PubChem CID:	49980628
Reduced:	O4N5C31H41 (1)
Stoich.:	A4B5C31D41 (1)
Weight, g/mol:	547.315855
ΔH_f, kcal/mol:	-163.84
Dipole, Da:	8.74
IP(EA), eV:	-9.13(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations