Geometry & MOs

Info

ID:	241182
PubChem CID:	96021804
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	295.098412
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	3.62
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2,6-difluorophenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)[C@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations