Geometry & MOs

Info

ID:	241239
PubChem CID:	96022168
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	269.122735
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	2.67
IP(EA), eV:	-9.06(-0.49)
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]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)[C@H]3C[C@H](CN3)O

DOS

IR

Vibrations