Geometry & MOs

Info

ID:	427431
PubChem CID:	135158898
Reduced:	ON7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	424.19158
ΔH_f, kcal/mol:	57.93
Dipole, Da:	4.82
IP(EA), eV:	-8.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C)/C=C(/C2=CC(=O)N3C=C(C=CC3=N2)N4CCC5(CC4)CNC5)\N

DOS

IR

Vibrations