Geometry & MOs

Info

ID:	242117
PubChem CID:	96026341
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	276.107419
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	2.66
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-(2-fluoropyridin-3-yl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)C3=CC(=CN=C3)O)F

DOS

IR

Vibrations