Geometry & MOs

Info

ID:	91962
PubChem CID:	49980778
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	530.250475
ΔH_f, kcal/mol:	-125.17
Dipole, Da:	4.63
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-(trifluoromethyl)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)C(C)C

DOS

IR

Vibrations