Geometry & MOs

Info

ID:	264676
PubChem CID:	103481674
Reduced:	BrClN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	380.93382
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	3.92
IP(EA), eV:	-8.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-bromo-3-chlorophenyl)thieno[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1CN(C(CN1)CC)C2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations