Geometry & MOs

Info

ID:	241243
PubChem CID:	96022192
Reduced:	F2N2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	3.7
IP(EA), eV:	-9.33(-0.28)
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]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations