Geometry & MOs

Info

ID:	241171
PubChem CID:	96021665
Reduced:	ClFNC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	266.121927
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	2.88
IP(EA), eV:	-9.0(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(1S)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)CC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations