Geometry & MOs

Info

ID:	73436
PubChem CID:	48417694
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	412.157404
ΔH_f, kcal/mol:	11.83
Dipole, Da:	2.44
IP(EA), eV:	-8.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluorophenyl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations