Geometry & MOs

Info

ID:	252638
PubChem CID:	103112878
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	8.01
IP(EA), eV:	-8.18(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(furan-2-ylmethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=CNC1=S)C(C)C

DOS

IR

Vibrations