Geometry & MOs

Info

ID:	595
PubChem CID:	3050
Reduced:	PO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	242.107181
ΔH_f, kcal/mol:	-191.54
Dipole, Da:	5.17
IP(EA), eV:	-9.09(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diethoxyphosphorylmethyl)-4-methylbenzene

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC=C(C=C1)C)OCC

DOS

IR

Vibrations