Geometry & MOs

Info

ID:	337532
PubChem CID:	127258155
Reduced:	PO3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	274.112267
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	3.87
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl(phenyl)phosphoryl]phenol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)OC3=CC4=CC=CC=C4C=C3)C(C)C

DOS

IR

Vibrations