Geometry & MOs

Info

ID:	241608
PubChem CID:	96023816
Reduced:	OF2N2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	175.1361
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	6.15
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations