Geometry & MOs

Info

ID:	251979
PubChem CID:	103108255
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	8.85
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-methylbutyl)-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=C(C=CC(=C1)CN)C

DOS

IR

Vibrations