Geometry & MOs

Info

ID:	411179
PubChem CID:	135083990
Reduced:	PO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	396.258203
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	1.11
IP(EA), eV:	-9.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z,6Z)-9-(2,4,6-tritert-butylphenyl)-9lambda5-phosphabicyclo[6.1.0]nona-2,4,6-triene 9-oxide

Drug info:

PubChemData

Smile

COC#CP(OC1=CC=CC=C1)OC2=CC=CC=C2

DOS

IR

Vibrations