Geometry & MOs

Info

ID:	120571
PubChem CID:	50734784
Reduced:	ClO3N4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	454.238019
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	4.98
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations