Geometry & MOs

Info

ID:	251490
PubChem CID:	103104336
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	240.097088
ΔH_f, kcal/mol:	-46.7
Dipole, Da:	3.23
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=CC(=CC(=C1)[N+](=O)[O-])N(CC)CC(=O)N

DOS

IR

Vibrations