Geometry & MOs

Info

ID:	76927
PubChem CID:	48425586
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	406.138338
ΔH_f, kcal/mol:	-90.07
Dipole, Da:	3.95
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[2-(diethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C)SCC1=CC=CC=C1

DOS

IR

Vibrations