Geometry & MOs

Info

ID:	241164
PubChem CID:	96021622
Reduced:	FNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	3.94
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-nitrophenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)C3=CC(=CC(=C3)F)C(=O)O

DOS

IR

Vibrations