Geometry & MOs

Info

ID:	241178
PubChem CID:	96021785
Reduced:	F2O2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	290.086684
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	5.98
IP(EA), eV:	-9.46(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=NC=CN=C3C(=O)O

DOS

IR

Vibrations