Geometry & MOs

Info

ID:	9808
PubChem CID:	93438
Reduced:	PO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	438.195996
ΔH_f, kcal/mol:	-229.43
Dipole, Da:	0.62
IP(EA), eV:	-8.91(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=C(C=C2C)C)C)OC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations