Geometry & MOs

Info

ID:	253518
PubChem CID:	103118957
Reduced:	O4N5C11H17 (1)
Stoich.:	A4B5C11D17 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	5.49
IP(EA), eV:	-9.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(2-methylpropylamino)-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations