Geometry & MOs

Info

ID:	95254
PubChem CID:	50007542
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	5.65
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)F)C

DOS

IR

Vibrations