Geometry & MOs

Info

ID:	21698
PubChem CID:	589569
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	3.66
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyphenyl)-4-methylphthalazin-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C

DOS

IR

Vibrations