Geometry & MOs

Info

ID:	140226
PubChem CID:	52666670
Reduced:	F3N4O4C21H25 (1)
Stoich.:	A3B4C4D21E25 (1)
Weight, g/mol:	456.162054
ΔH_f, kcal/mol:	-285.29
Dipole, Da:	6.43
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[2-oxo-2-[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCCNC2=C(C=CC=N2)C(F)(F)F)OCC

DOS

IR

Vibrations