Geometry & MOs

Info

ID:	251394
PubChem CID:	103103687
Reduced:	BrON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	259.047217
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	2.13
IP(EA), eV:	-9.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-5-nitropyrimidin-4-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC(=NC(=N1)C(C)(C)C)Br

DOS

IR

Vibrations