Geometry & MOs

Info

ID:	102327
PubChem CID:	50066266
Reduced:	O3N4F5H29C30 (1)
Stoich.:	A3B4C5D29E30 (1)
Weight, g/mol:	488.222369
ΔH_f, kcal/mol:	-325.78
Dipole, Da:	6.56
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations