Geometry & MOs

Info

ID:	383960
PubChem CID:	134976075
Reduced:	PO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	216.106788
ΔH_f, kcal/mol:	-159.71
Dipole, Da:	0.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.822699
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-tert-butyl-1-ethenyl-3-phenylphosphirene

Drug info:

PubChemData

Smile

CCOC(=C1C(=C(C(=P1)C(=O)OCC)C)C)[O-]

DOS

IR

Vibrations