Geometry & MOs

Info

ID:	414126
PubChem CID:	135087081
Reduced:	PO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	318.138482
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	0.93
IP(EA), eV:	-8.8(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl-(3-methylphenoxy)phosphoryl]oxy-3-methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations