Geometry & MOs

Info

ID:	241247
PubChem CID:	96022217
Reduced:	OF2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	265.102668
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	3.18
IP(EA), eV:	-9.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=NNC(=O)C=C3

DOS

IR

Vibrations