Geometry & MOs

Info

ID:	165374
PubChem CID:	74541403
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	368.124646
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	6.62
IP(EA), eV:	-8.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-3-(1,4-dioxophthalazin-2-ium-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)N3CCCC3=O)OC

DOS

IR

Vibrations