Geometry & MOs

Info

ID:	192347
PubChem CID:	78258554
Reduced:	NO2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	411.155611
ΔH_f, kcal/mol:	-175.54
Dipole, Da:	6.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760574
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3C(=[N+](C(=O)N(C3=O)C)CC(C)C)N

DOS

IR

Vibrations