Geometry & MOs

Info

ID:	136340
PubChem CID:	52025859
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	5.81
IP(EA), eV:	-8.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)C(=O)NC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations