Geometry & MOs

Info

ID:	266898
PubChem CID:	103579956
Reduced:	BrClN2O2C9H12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	301.92801
ΔH_f, kcal/mol:	-61.04
Dipole, Da:	2.96
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(thiophen-2-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)NCCOCCO)Br

DOS

IR

Vibrations