Geometry & MOs

Info

ID:	252644
PubChem CID:	103112913
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	9.15
IP(EA), eV:	-8.69(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=CC(=C1C)C(=O)CCl)C

DOS

IR

Vibrations