Geometry & MOs

Info

ID:	438798
PubChem CID:	135228555
Reduced:	NO4H17C21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	3.25
IP(EA), eV:	-8.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,4-dimethyl-1-propan-2-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=CC(N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

DOS

IR

Vibrations