Geometry & MOs

Info

ID:	251683
PubChem CID:	103105970
Reduced:	ClO2N5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	2.24
IP(EA), eV:	-9.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=NC=C(N2C)Cl)C(=O)OC

DOS

IR

Vibrations