Geometry & MOs

Info

ID:	73421
PubChem CID:	48417662
Reduced:	O2F3N3C21H24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	419.218447
ΔH_f, kcal/mol:	-192.27
Dipole, Da:	6.08
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations