Geometry & MOs

Info

ID:	241249
PubChem CID:	96022229
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	227.11217
ΔH_f, kcal/mol:	-88.84
Dipole, Da:	3.0
IP(EA), eV:	-9.0(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)COC3=CC=CC=C3

DOS

IR

Vibrations