Geometry & MOs

Info

ID:	166692
PubChem CID:	74723231
Reduced:	N3O3F4H16C22 (1)
Stoich.:	A3B3C4D16E22 (1)
Weight, g/mol:	385.176347
ΔH_f, kcal/mol:	-206.76
Dipole, Da:	5.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.009723
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzyl-2-oxomorpholin-4-ium-3-yl)-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[N+](C(=O)C(N2)(C(F)(F)F)NC(=O)C3=CC=CC=C3F)CC4=CC=CO4

DOS

IR

Vibrations