Geometry & MOs

Info

ID:	396603
PubChem CID:	135028827
Reduced:	SN2O4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	6.63
IP(EA), eV:	-8.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3C(=O)N2C4=NC5=C(S4)C=CC(=C5)OC)O)C

DOS

IR

Vibrations