Geometry & MOs

Info

ID:	130813
PubChem CID:	51112864
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	1.79
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-oxo-6-(phthalazin-1-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)OCC(CN3C4=CC=CC=C4N=C3CC(=O)N)O

DOS

IR

Vibrations