Geometry & MOs

Info

ID:	38462
PubChem CID:	8099794
Reduced:	N3O4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	413.111789
ΔH_f, kcal/mol:	-10.35
Dipole, Da:	6.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768252
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,3,4-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations