Geometry & MOs

Info

ID:	241283
PubChem CID:	96022325
Reduced:	NOF4H11C15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	291.123484
ΔH_f, kcal/mol:	-181.83
Dipole, Da:	2.56
IP(EA), eV:	-9.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations