Geometry & MOs

Info

ID:	241179
PubChem CID:	96021787
Reduced:	F2N2O2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	6.34
IP(EA), eV:	-9.73(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations