Geometry & MOs

Info

ID:	241180
PubChem CID:	96021792
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	287.11217
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	2.29
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[(1R)-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)CCC3=CC=C(C=C3)O

DOS

IR

Vibrations