Geometry & MOs

Info

ID:	427429
PubChem CID:	135158895
Reduced:	OPSN4C23H27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	383.176264
ΔH_f, kcal/mol:	33.92
Dipole, Da:	2.99
IP(EA), eV:	-8.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,3-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=CN3C(C=C2)PC(=CC3=O)C4=CC5=C(C=C4)SC(=N5)C

DOS

IR

Vibrations