Geometry & MOs

Info

ID:	45434
PubChem CID:	10513286
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	5.73
IP(EA), eV:	-9.03(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-1-(2H-triazol-4-yl)pentan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC/C=C/1\CN2CCCCC2COC1=O

DOS

IR

Vibrations