Geometry & MOs

Info

ID:	242140
PubChem CID:	96026514
Reduced:	FOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	1.1
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-7-methoxy-1-(1-methylimidazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@H](C2=C1)C3=NC=CS3)F

DOS

IR

Vibrations