Geometry & MOs

Info

ID:	274094
PubChem CID:	103806993
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	415.90166
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	0.86
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1C(=O)NC2=CC3=C(CCNC3)C=C2

DOS

IR

Vibrations