Geometry & MOs

Info

ID:	105153
PubChem CID:	50106505
Reduced:	O5N6C29H38 (1)
Stoich.:	A5B6C29D38 (1)
Weight, g/mol:	502.238019
ΔH_f, kcal/mol:	-209.49
Dipole, Da:	13.09
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations