Geometry & MOs

Info

ID:

300902

PubChem CID:

123055343

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

510.215472

ΔHf, kcal/mol:

-184.68

Dipole, Da:

9.65

IP(EA), eV:

 -8.48(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3Z)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-2-[3-(2-methylpropoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)OCC(C)C

DOS

IR

Vibrations