Geometry & MOs

Info

ID:	141586
PubChem CID:	52898885
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	348.11956
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	3.96
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]butanoate

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C=C1C(=O)NC2=CN=CC=C2)OC

DOS

IR

Vibrations