Geometry & MOs

Info

ID:	253242
PubChem CID:	103117026
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	8.77
IP(EA), eV:	-9.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1-methoxypropan-2-yl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations