Geometry & MOs

Info

ID:	396863
PubChem CID:	135029358
Reduced:	OH16C19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	724.287134
ΔH_f, kcal/mol:	39.75
Dipole, Da:	1.08
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3R)-1-(3,4-dimethoxyphenyl)-3-(diphenylphosphanylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-diphenylphosphane

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C(=C)C3=CC=CC=C3

DOS

IR

Vibrations