Geometry & MOs

Info

ID:	1374
PubChem CID:	4262
Reduced:	NO3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-166.16
Dipole, Da:	3.43
IP(EA), eV:	-10.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-hydroxy-4,5-dimethyl-1-octylpyrrol-2-one

Drug info:

PubChemData

Smile

CCCCCCCCN1C(=O)C(=C(C1(C)O)C)C(=O)C

DOS

IR

Vibrations