Geometry & MOs

Info

ID:	251562
PubChem CID:	103104901
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	279.144373
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	3.24
IP(EA), eV:	-9.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC(=NN2C)C)C

DOS

IR

Vibrations