Geometry & MOs

Info

ID:	218847
PubChem CID:	85090058
Reduced:	O3C16H18 (2)
Stoich.:	A3B16C18 (2)
Weight, g/mol:	516.300462
ΔH_f, kcal/mol:	-228.36
Dipole, Da:	0.8
IP(EA), eV:	-9.03(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butyl-4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,1-dicyclopentyl-1-dimethoxyphosphorylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)C(=O)C=CC5=CC(=CC=C5)OC)OC(=O)C)C

DOS

IR

Vibrations