Geometry & MOs

Info

ID:	207287
PubChem CID:	80372801
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	5.89
IP(EA), eV:	-9.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CN(C)C(=O)C1=NNC(=N1)C(C)C

DOS

IR

Vibrations