Geometry & MOs

Info

ID:	252413
PubChem CID:	103111187
Reduced:	N3O5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	227.138225
ΔH_f, kcal/mol:	-253.64
Dipole, Da:	4.45
IP(EA), eV:	-9.54(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(3-aminopropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)NC(=O)CC(C)CC(=O)O

DOS

IR

Vibrations