Geometry & MOs

Info

ID:	290097
PubChem CID:	104408280
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	2.83
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C)NC1=NC=CC(=C1[N+](=O)[O-])C

DOS

IR

Vibrations