Geometry & MOs

Info

ID:	241175
PubChem CID:	96021771
Reduced:	OF2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	290.086684
ΔH_f, kcal/mol:	-144.96
Dipole, Da:	5.27
IP(EA), eV:	-9.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@H]1C2=C(CCN1)C=C(C=C2F)F)NC(=O)C

DOS

IR

Vibrations