Geometry & MOs

Info

ID:	177896
PubChem CID:	76249734
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	393.119895
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	3.25
IP(EA), eV:	-8.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,4-dioxophthalazin-2-ium-2-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NC(C)CC3=CC=CO3)C

DOS

IR

Vibrations