Geometry & MOs

Info

ID:	288197
PubChem CID:	104313420
Reduced:	BrClN2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	361.8911
ΔH_f, kcal/mol:	51.67
Dipole, Da:	2.18
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(5-bromothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(C2=CC=C(C=C2)Cl)N)Br

DOS

IR

Vibrations