Geometry & MOs

Info

ID:	102301
PubChem CID:	50066095
Reduced:	FO3N4C31H35 (1)
Stoich.:	AB3C4D31E35 (1)
Weight, g/mol:	542.194103
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	9.26
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations