Geometry & MOs

Info

ID:	241330
PubChem CID:	96022823
Reduced:	FON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	4.29
IP(EA), eV:	-8.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)[C@@H]3CC4=CC=CC=C4N3

DOS

IR

Vibrations