Geometry & MOs

Info

ID:	241396
PubChem CID:	96023341
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	3.4
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C[C@H]2C3=C(CCN2)C=CC(=C3F)O)C

DOS

IR

Vibrations