Geometry & MOs

Info

ID:	241585
PubChem CID:	96023761
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	252.127406
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	3.94
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C[C@H]2C3=CC(=C(C=C3CCN2)F)O)C

DOS

IR

Vibrations