Geometry & MOs

Info

ID:	252615
PubChem CID:	103112674
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	317.140927
ΔH_f, kcal/mol:	-180.49
Dipole, Da:	6.95
IP(EA), eV:	-9.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(3-ethylsulfonylpropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)NC1(CCC1)C(=O)O

DOS

IR

Vibrations