Geometry & MOs

Info

ID:	252633
PubChem CID:	103112819
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	9.15
IP(EA), eV:	-10.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-heptyl-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCN1C(=C(N=N1)C(=O)OCC(C)C)C

DOS

IR

Vibrations