Geometry & MOs

Info

ID:	85603
PubChem CID:	49877614
Reduced:	ClNO2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	498.236601
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753055
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C(=O)O)N.[Cl-]

DOS

IR

Vibrations