Geometry & MOs

Info

ID:	251565
PubChem CID:	103104931
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-65.41
Dipole, Da:	4.73
IP(EA), eV:	-10.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(C)C)C

DOS

IR

Vibrations