Geometry & MOs

Info

ID:	241499
PubChem CID:	96023495
Reduced:	FNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	4.62
IP(EA), eV:	-8.74(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations