Geometry & MOs

Info

ID:	187011
PubChem CID:	77518134
Reduced:	FON2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	2.3
IP(EA), eV:	-10.45(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1H-pyrazol-3-yl)amino]-8aH-phthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N=CC(C2=O)F

DOS

IR

Vibrations