Geometry & MOs

Info

ID:	191648
PubChem CID:	78172849
Reduced:	O7C37H66 (1)
Stoich.:	A7B37C66 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-422.04
Dipole, Da:	4.89
IP(EA), eV:	-9.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC1C(CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O

DOS

IR

Vibrations