Geometry & MOs

Info

ID:	76177
PubChem CID:	48424548
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	4.98
IP(EA), eV:	-9.47(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCOC)C1CCCC1)OCC2CC2

DOS

IR

Vibrations