Geometry & MOs

Info

ID:	241207
PubChem CID:	96021957
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	293.078283
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	2.8
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations