Geometry & MOs

Info

ID:	224625
PubChem CID:	85345412
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-208.51
Dipole, Da:	4.02
IP(EA), eV:	-10.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-3-(2-oxopropylidene)isoindol-1-one

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)C3=CC(=CC=C3)C(=O)N)CO)C

DOS

IR

Vibrations