Geometry & MOs

Info

ID:	266742
PubChem CID:	103579258
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	3.64
Dipole, Da:	2.91
IP(EA), eV:	-9.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-pent-1-yn-3-yl-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(ON=C1C)C

DOS

IR

Vibrations