Geometry & MOs

Info

ID:	427423
PubChem CID:	135158858
Reduced:	N3O3C10H11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	436.214047
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	4.54
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(dimethylamino)piperidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2C=CNC(=O)C2=C1C

DOS

IR

Vibrations