Geometry & MOs

Info

ID:	265384
PubChem CID:	103519215
Reduced:	BrOSN2C8H11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	325.0062
ΔH_f, kcal/mol:	-14.24
Dipole, Da:	3.79
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C=N1)Br)SCCCO)N

DOS

IR

Vibrations