Geometry & MOs

Info

ID:	24217
PubChem CID:	608449
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	23.3
Dipole, Da:	3.32
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,6-tetrahydropyrimido[2,1-a]phthalazin-7-one

Drug info:

PubChemData

Smile

C1CN=C2C3=CC=CC=C3C(=O)NN2C1

DOS

IR

Vibrations