Geometry & MOs

Info

ID:	251677
PubChem CID:	103105906
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-29.69
Dipole, Da:	4.71
IP(EA), eV:	-10.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=NOC(=N2)CC(C)C)C(=O)OC

DOS

IR

Vibrations