Geometry & MOs

Info

ID:	241282
PubChem CID:	96022322
Reduced:	NF3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	297.077677
ΔH_f, kcal/mol:	-105.86
Dipole, Da:	3.33
IP(EA), eV:	-9.01(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations