Geometry & MOs

Info

ID:	9804
PubChem CID:	93429
Reduced:	PO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	396.149046
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	0.69
IP(EA), eV:	-9.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl) phenyl (2,4,6-trimethylphenyl) phosphate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OP(=O)(OC2=CC=CC=C2)OC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations