Geometry & MOs

Info

ID:	241246
PubChem CID:	96022215
Reduced:	F2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	263.087018
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	3.4
IP(EA), eV:	-9.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations