Geometry & MOs

Info

ID:	251660
PubChem CID:	103105741
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	279.144373
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	5.6
IP(EA), eV:	-9.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(1-propyltetrazol-5-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2CCOC3(C2)CCOC3)C(=O)OC

DOS

IR

Vibrations