Geometry & MOs

Info

ID:	253503
PubChem CID:	103118862
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	5.38
IP(EA), eV:	-9.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C(C)N1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations