Geometry & MOs

Info

ID:	170011
PubChem CID:	75181517
Reduced:	O5C23H28 (1)
Stoich.:	A5B23C28 (1)
Weight, g/mol:	384.193674
ΔH_f, kcal/mol:	-150.77
Dipole, Da:	2.12
IP(EA), eV:	-8.74(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC2(C1(O2)C=CC(=O)CC(=O)C=CC3=CC(=C(C=C3)O)OC)C)C

DOS

IR

Vibrations