Geometry & MOs

Info

ID:	441276
PubChem CID:	135233938
Reduced:	NC23H23 (1)
Stoich.:	AB23C23 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	104.11
Dipole, Da:	1.59
IP(EA), eV:	-7.91(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-hydroxyethenyl)phenyl]-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=CC(N(C=C1)C2CC=C2)C3=CC=CC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations