Geometry & MOs

Info

ID:	182371
PubChem CID:	76882341
Reduced:	BrO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-40.31
Dipole, Da:	9.02
IP(EA), eV:	-9.76(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-N-(1,4-dioxophthalazin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC2=NC(=O)NC2=CC1Br)N

DOS

IR

Vibrations