Geometry & MOs

Info

ID:	241398
PubChem CID:	96023345
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	7.34
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(5-nitropyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1[N+](=O)[O-])N2CCC(CC2)C(=O)NC3CC3

DOS

IR

Vibrations