Geometry & MOs

Info

ID:	142641
PubChem CID:	53070671
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-90.95
Dipole, Da:	6.17
IP(EA), eV:	-8.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3-chloro-4-methylphenyl)-4-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations