Geometry & MOs

Info

ID:	242137
PubChem CID:	96026486
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	3.82
IP(EA), eV:	-8.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-7-methoxy-1-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)[C@H]2C3=CC(=C(C=C3CCN2)F)OC

DOS

IR

Vibrations