Geometry & MOs

Info

ID:	402605
PubChem CID:	135056552
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	3.08
IP(EA), eV:	-9.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-hydroxyoct-1-enyl]-2-methylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C(=C)/C=C/C(=O)NC(C)(C)C

DOS

IR

Vibrations