Geometry & MOs

Info

ID:	427419
PubChem CID:	135158753
Reduced:	OPN5C27H34 (1)
Stoich.:	ABC5D27E34 (1)
Weight, g/mol:	367.181349
ΔH_f, kcal/mol:	40.67
Dipole, Da:	4.86
IP(EA), eV:	-8.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-7-[(3S)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=CN2C1=CC(=N2)C3=CC(=O)N4C=C(C=C(C4P3)C)C5CCN(CC5)C6CCC6)C

DOS

IR

Vibrations