Geometry & MOs

Info

ID:	172305
PubChem CID:	75493707
Reduced:	FNSO3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	308.075012
ΔH_f, kcal/mol:	-131.56
Dipole, Da:	5.56
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(C(=O)C(C1)SC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations