Geometry & MOs

Info

ID:	241187
PubChem CID:	96021818
Reduced:	NF2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	243.0707
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	4.17
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations