Geometry & MOs

Info

ID:	241311
PubChem CID:	96022648
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-141.66
Dipole, Da:	1.41
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H]([C@@H]1C2=C(CCN1)C=CC(=C2F)O)NC(=O)C

DOS

IR

Vibrations