Geometry & MOs

Info

ID:	241325
PubChem CID:	96022749
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-114.02
Dipole, Da:	1.36
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)C3=C(C=CC(=C3)C=O)O

DOS

IR

Vibrations