Geometry & MOs

Info

ID:	241272
PubChem CID:	96022299
Reduced:	OF2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	295.098412
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	3.73
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3,5-difluorophenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations