Geometry & MOs

Info

ID:	202413
PubChem CID:	79670065
Reduced:	NSO3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-127.6
Dipole, Da:	3.87
IP(EA), eV:	-8.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)-3,4-dimethylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

CCNC1C(CCC2=C1C=C(C=C2)OC)SCC(CO)O

DOS

IR

Vibrations