Geometry & MOs

Info

ID:	65433
PubChem CID:	29214965
Reduced:	F3N3O3C18H25 (1)
Stoich.:	A3B3C3D18E25 (1)
Weight, g/mol:	387.176976
ΔH_f, kcal/mol:	-257.06
Dipole, Da:	13.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774962
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CCN1C[C@H](CCC1=O)C(=O)NCC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations