Geometry & MOs

Info

ID:	73422
PubChem CID:	48417663
Reduced:	OF3N3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	419.218447
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	6.9
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)phenyl]-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)N(C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations