Geometry & MOs

Info

ID:	91945
PubChem CID:	49980624
Reduced:	N5O5C32H41 (1)
Stoich.:	A5B5C32D41 (1)
Weight, g/mol:	547.315855
ΔH_f, kcal/mol:	-191.65
Dipole, Da:	9.28
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations