Geometry & MOs

Info

ID:	427418
PubChem CID:	135158738
Reduced:	OP2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	475.250098
ΔH_f, kcal/mol:	21.2
Dipole, Da:	5.48
IP(EA), eV:	-7.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-cyclobutylpiperidin-4-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(N1)C)C2=CN3C(C=C2)PC(=CC3=O)C4=CC5=C(N(C=C5)C)PC4

DOS

IR

Vibrations