Geometry & MOs

Info

ID:	207355
PubChem CID:	80386481
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-8.52
Dipole, Da:	5.36
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-(1,2-oxazol-3-yl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)NCCN(C)C(C)C

DOS

IR

Vibrations