Geometry & MOs

Info

ID:	253218
PubChem CID:	103116858
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	6.61
IP(EA), eV:	-9.68(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-hydroxy-2-methylpropyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC(CCC(=O)O)CCNC(=O)C1=NN(C=C1)C

DOS

IR

Vibrations