Geometry & MOs

Info

ID:	241177
PubChem CID:	96021783
Reduced:	F2N2O2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	291.081933
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	3.95
IP(EA), eV:	-9.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations