Geometry & MOs

Info

ID:	399736
PubChem CID:	135042116
Reduced:	O2H12C15 (1)
Stoich.:	A2B12C15 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-31.3
Dipole, Da:	1.5
IP(EA), eV:	-8.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2,3-dimethoxy-4-methylphenyl)-4-methylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=CC=CC=C3CC2=O

DOS

IR

Vibrations