Geometry & MOs

Info

ID:	241331
PubChem CID:	96022837
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	296.132491
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	2.6
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations