Geometry & MOs

Info

ID:	414125
PubChem CID:	135087080
Reduced:	PO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	318.138482
ΔH_f, kcal/mol:	-158.38
Dipole, Da:	3.8
IP(EA), eV:	-9.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl-(4-methylphenoxy)phosphoryl]oxy-4-methylbenzene

Drug info:

PubChemData

Smile

CC(C)/C(=C/C(=O)OC)/OP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations