Geometry & MOs

Info

ID:	85604
PubChem CID:	49877630
Reduced:	N2O7C27H34 (1)
Stoich.:	A2B7C27D34 (1)
Weight, g/mol:	454.210387
ΔH_f, kcal/mol:	-209.04
Dipole, Da:	6.26
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)/O

DOS

IR

Vibrations