Geometry & MOs

Info

ID:	110707
PubChem CID:	50337047
Reduced:	FO3N4C30H33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	572.204668
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	8.73
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C)C

DOS

IR

Vibrations