Geometry & MOs

Info

ID:	253539
PubChem CID:	103119096
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	280.128388
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	6.33
IP(EA), eV:	-9.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations