Geometry & MOs

Info

ID:	191190
PubChem CID:	78116123
Reduced:	O5C26H34 (1)
Stoich.:	A5B26C34 (1)
Weight, g/mol:	410.24571
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	2.98
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohexylmethoxy)-3-[3-hydroxy-3-(4-methylphenyl)prop-1-enyl]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C=CC2=COC3CCCC(C3C2=O)OCC4CCCCC4)O

DOS

IR

Vibrations