Geometry & MOs

Info

ID:	376598
PubChem CID:	134222619
Reduced:	FO3N12C29H31 (1)
Stoich.:	AB3C12D29E31 (1)
Weight, g/mol:	144.034017
ΔH_f, kcal/mol:	39.49
Dipole, Da:	11.33
IP(EA), eV:	-8.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-ynyl-1,2lambda5-oxaphospholane 2-oxide

Drug info:

PubChemData

Smile

CN=C1/C(=C(/NC(=O)C2CC(CN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F)\N=C)/C=NN1C6CCNC6

DOS

IR

Vibrations