Geometry & MOs

Info

ID:	329384
PubChem CID:	126735883
Reduced:	ClFNO6C22H23 (1)
Stoich.:	ABCD6E22F23 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-287.03
Dipole, Da:	5.73
IP(EA), eV:	-9.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-nitroso-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C[C@@](CCO)(C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)C(=O)O)C(=O)O

DOS

IR

Vibrations