Geometry & MOs

Info

ID:	327796
PubChem CID:	126691077
Reduced:	OSN3H31C46 (1)
Stoich.:	ABC3D31E46 (1)
Weight, g/mol:	167.026679
ΔH_f, kcal/mol:	194.26
Dipole, Da:	2.53
IP(EA), eV:	-8.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-1,3,2-oxazaphosphinane

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)SC3=C2C=CC=C3C4=NC=C(C=C4)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)OC8=CC=CC=C87)C9=CN=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations