Geometry & MOs

Info

ID:	241185
PubChem CID:	96021815
Reduced:	NF3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	287.11217
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	2.41
IP(EA), eV:	-9.27(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)/C=C/C3=CC=CC=C3F

DOS

IR

Vibrations