Geometry & MOs

Info

ID:	241188
PubChem CID:	96021824
Reduced:	NF2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	294.15437
ΔH_f, kcal/mol:	-205.65
Dipole, Da:	5.64
IP(EA), eV:	-10.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations