Geometry & MOs

Info

ID:	207286
PubChem CID:	80372800
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	5.74
Dipole, Da:	5.82
IP(EA), eV:	-9.25(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-methylbutyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CN(C)C(=O)C1=NNC(=N1)C2CC2

DOS

IR

Vibrations