Geometry & MOs

Info

ID:	177119
PubChem CID:	76137050
Reduced:	SO10C12H22 (1)
Stoich.:	AB10C12D22 (1)
Weight, g/mol:	172.063663
ΔH_f, kcal/mol:	-455.76
Dipole, Da:	0.58
IP(EA), eV:	-9.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-5-methylidenephthalazin-1-one

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)CS)O)O)O)O

DOS

IR

Vibrations