Geometry & MOs

Info

ID:	251721
PubChem CID:	103106302
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	3.53
IP(EA), eV:	-10.2(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(1,3-thiazol-4-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations