Geometry & MOs

Info

ID:	271025
PubChem CID:	103640508
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	326.96771
ΔH_f, kcal/mol:	-86.2
Dipole, Da:	6.61
IP(EA), eV:	-9.25(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]-3-nitropyridin-4-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCC(C2)C(=O)OC

DOS

IR

Vibrations