Geometry & MOs

Info

ID:	251723
PubChem CID:	103106310
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	3.5
IP(EA), eV:	-10.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-aminopropyl)-5-tert-butyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)OC)C(C)(C)C

DOS

IR

Vibrations