Geometry & MOs

Info

ID:	386656
PubChem CID:	134982450
Reduced:	O2C27H28 (1)
Stoich.:	A2B27C28 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	0.73
IP(EA), eV:	-8.13(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-3a-hydroxy-4-(4-methoxyphenyl)-2,3,6,6a-tetrahydropentalen-1-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C1)CC)C(=C(C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations