Geometry & MOs

Info

ID:	191191
PubChem CID:	78116124
Reduced:	O2C13H17 (2)
Stoich.:	A2B13C17 (2)
Weight, g/mol:	452.29266
ΔH_f, kcal/mol:	-159.05
Dipole, Da:	6.35
IP(EA), eV:	-9.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-tert-butylphenyl)-3-hydroxyprop-1-enyl]-5-(cyclohexylmethoxy)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C=CC2=COC3CCCC(C3C2=O)OCC4CCCCC4)O

DOS

IR

Vibrations