Geometry & MOs

Info

ID:	201398
PubChem CID:	79534173
Reduced:	BrSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	303.02185
ΔH_f, kcal/mol:	42.48
Dipole, Da:	2.58
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(1-ethoxypropan-2-yl)-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC2=NC3=C(S2)C=C(C=C3)Br

DOS

IR

Vibrations