Geometry & MOs

Info

ID:	13938
PubChem CID:	400239
Reduced:	PN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	320.12898
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	6.25
IP(EA), eV:	-9.45(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-methylpent-3-enenitrile

Drug info:

PubChemData

Smile

CC=CC(C)(C#N)OP1(=O)N(C(C(O1)C2=CC=CC=C2)C)C

DOS

IR

Vibrations