Geometry & MOs

Info

ID:	166681
PubChem CID:	74723220
Reduced:	N2O4C19H25 (1)
Stoich.:	A2B4C19D25 (1)
Weight, g/mol:	331.061623
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	2.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994621
Charge, e:	1

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-(4-ethyl-2-oxomorpholin-4-ium-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

DOS

IR

Vibrations