Geometry & MOs

Info

ID:	241310
PubChem CID:	96022642
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-54.89
Dipole, Da:	4.47
IP(EA), eV:	-8.9(-0.22)
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]-3-methylbutyl]acetamide

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=CC=C(C=C3)CCl

DOS

IR

Vibrations