Geometry & MOs

Info

ID:	374284
PubChem CID:	131326139
Reduced:	NOF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	2.09
IP(EA), eV:	-10.52(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(propan-2-ylamino)-8aH-pyrido[3,4-d]pyridazin-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1C#N)C(F)F)C=O

DOS

IR

Vibrations