Geometry & MOs

Info

ID:	242121
PubChem CID:	96026391
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	236.132491
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	2.16
IP(EA), eV:	-8.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(azetidin-3-yl)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)[C@@H]3CCCCN3)F

DOS

IR

Vibrations