Geometry & MOs

Info

ID:	252576
PubChem CID:	103112435
Reduced:	ClON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	7.08
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C2=C(C=CC=C2N=C1C(C)Cl)C

DOS

IR

Vibrations