Geometry & MOs

Info

ID:	207285
PubChem CID:	80372723
Reduced:	OSN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	23.18
Dipole, Da:	4.99
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCSC1)C(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations