Geometry & MOs

Info

ID:	170012
PubChem CID:	75181518
Reduced:	O5C23H28 (1)
Stoich.:	A5B23C28 (1)
Weight, g/mol:	384.193674
ΔH_f, kcal/mol:	-166.66
Dipole, Da:	3.06
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methoxyphenyl)-7-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CC1=CCCC(C1(C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O)(C)C

DOS

IR

Vibrations