Geometry & MOs

Info

ID:	252088
PubChem CID:	103109017
Reduced:	SN3O4C11H23 (1)
Stoich.:	AB3C4D11E23 (1)
Weight, g/mol:	273.124405
ΔH_f, kcal/mol:	-193.77
Dipole, Da:	4.12
IP(EA), eV:	-9.52(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(3,3-dimethylbutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations