Geometry & MOs

Info

ID:	216708
PubChem CID:	85086652
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	294.16198
ΔH_f, kcal/mol:	-180.51
Dipole, Da:	3.43
IP(EA), eV:	-9.29(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxyphenyl)-1,2,3,4,4a,5,6,7-octahydrobenzo[j]naphthalen-9-one

Drug info:

PubChemData

Smile

CC(=O)OC(COCC1=CC=CC=C1)C(C(C)(C)C)OC

DOS

IR

Vibrations