Geometry & MOs

Info

ID:	140225
PubChem CID:	52665713
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	454.18279
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	2.75
IP(EA), eV:	-8.83(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxy-N-[2-oxo-2-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC[C@@H]1C(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations