Geometry & MOs

Info

ID:	251859
PubChem CID:	103107428
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	247.062677
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	4.19
IP(EA), eV:	-8.86(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-ethylsulfonylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(CC(C)(C)C)C1=CC=CC=C1

DOS

IR

Vibrations