Geometry & MOs

Info

ID:	251974
PubChem CID:	103108213
Reduced:	OSN3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	2.3
IP(EA), eV:	-8.42(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-methoxybutan-2-yl)-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=S)NC(C)C

DOS

IR

Vibrations