Geometry & MOs

Info

ID:	241200
PubChem CID:	96021919
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	280.057882
ΔH_f, kcal/mol:	-120.34
Dipole, Da:	4.36
IP(EA), eV:	-9.05(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C1CN[C@H](C2=C1C=C(C=C2F)F)[C@@H]3C[C@H](CN3)O

DOS

IR

Vibrations