Geometry & MOs

Info

ID:	251578
PubChem CID:	103105001
Reduced:	ClO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	6.07
IP(EA), eV:	-9.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(N(N=C2C)C)Cl)C

DOS

IR

Vibrations