Geometry & MOs

Info

ID:	91968
PubChem CID:	49981069
Reduced:	N5O5C30H39 (1)
Stoich.:	A5B5C30D39 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-198.08
Dipole, Da:	7.32
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-6-(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(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations