Geometry & MOs

Info

ID:	241204
PubChem CID:	96021937
Reduced:	N2F3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	279.087099
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	3.51
IP(EA), eV:	-9.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-fluorophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations