Geometry & MOs

Info

ID:	252421
PubChem CID:	103111236
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	310.08481
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	2.44
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC=CC(=C1)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations