Geometry & MOs

Info

ID:	218171
PubChem CID:	85088988
Reduced:	O3C13H14 (2)
Stoich.:	A3B13C14 (2)
Weight, g/mol:	436.237861
ΔH_f, kcal/mol:	-178.08
Dipole, Da:	3.72
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-diethoxyphosphoryl-4-methylpent-1-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=C(C=CC1=CC(=CC=C1)OC)O)C(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations