Geometry & MOs

Info

ID:	290277
PubChem CID:	104426387
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	3.67
IP(EA), eV:	-9.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC=NC(=C1)NCCC(=O)NCC(C)C

DOS

IR

Vibrations