Geometry & MOs

Info

ID:	339243
PubChem CID:	127260622
Reduced:	O7C28H30 (1)
Stoich.:	A7B28C30 (1)
Weight, g/mol:	386.188195
ΔH_f, kcal/mol:	-244.73
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-hydroxy-3-prop-2-enylphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(=O)OCOC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OCOC(=O)CC)/CCC2

DOS

IR

Vibrations