Geometry & MOs

Info

ID:	73429
PubChem CID:	48417677
Reduced:	N2O2F3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	412.157404
ΔH_f, kcal/mol:	-197.16
Dipole, Da:	3.93
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-difluorophenyl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CCC(CC2)N(C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations