Geometry & MOs

Info

ID:	75223
PubChem CID:	48423192
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	2.56
IP(EA), eV:	-9.45(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(CNC(=O)C(C)OCC1CC1)C2=CC=CC=C2

DOS

IR

Vibrations