Geometry & MOs

Info

ID:	144756
PubChem CID:	53408389
Reduced:	BrClN3H5C8 (1)
Stoich.:	ABC3D5E8 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	54.45
Dipole, Da:	2.05
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=NC(=N2)N)Cl

DOS

IR

Vibrations