Geometry & MOs

Info

ID:	241248
PubChem CID:	96022218
Reduced:	OF2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	275.11217
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	5.5
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-difluoro-1-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations