Geometry & MOs

Info

ID:	427426
PubChem CID:	135158873
Reduced:	OPN4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	417.161757
ΔH_f, kcal/mol:	45.59
Dipole, Da:	5.42
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-9-fluoro-7-(piperidin-4-ylamino)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CC1=CN2C=C(C=CC2=N1)C3=CC(=O)N4C=C(C=CC4P3)C5=CCN(CC5)C(C)C

DOS

IR

Vibrations