Geometry & MOs

Info

ID:	126293
PubChem CID:	50958959
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	270.132805
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	5.42
IP(EA), eV:	-8.5(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-morpholin-4-ylethyl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=C(C=C(C=C1)C)NC(=O)C/C=C/C

DOS

IR

Vibrations