Geometry & MOs

Info

ID:	241500
PubChem CID:	96023496
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-150.35
Dipole, Da:	4.62
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)([C@@H]2C3=C(CCN2)C=CC(=C3F)O)C(=O)O

DOS

IR

Vibrations