Geometry & MOs

Info

ID:	241186
PubChem CID:	96021817
Reduced:	NOF2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	289.091435
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	3.8
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-hydroxybenzaldehyde

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)/C=C/C3=CC=CC=C3O

DOS

IR

Vibrations