Geometry & MOs

Info

ID:	77007
PubChem CID:	48425701
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	386.192961
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	8.23
IP(EA), eV:	-9.86(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=NC2=C1C(=NO2)CC(C)(C)C)C3CC3

DOS

IR

Vibrations