Geometry & MOs

Info

ID:	241206
PubChem CID:	96021955
Reduced:	NOSF2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	276.107419
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	4.62
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(2-methoxypyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations