Geometry & MOs

Info

ID:	251661
PubChem CID:	103105760
Reduced:	O2N7C11H17 (1)
Stoich.:	A2B7C11D17 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	30.03
Dipole, Da:	3.75
IP(EA), eV:	-10.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=NN=N1)CN2C(=C(N=N2)C(=O)OC)CC

DOS

IR

Vibrations