Geometry & MOs

Info

ID:	212981
PubChem CID:	81062441
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-21.39
Dipole, Da:	2.99
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-(2-ethoxyethyl)-N-methyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1=C(C=CS1)C#CCO

DOS

IR

Vibrations