Geometry & MOs

Info

ID:	251770
PubChem CID:	103106810
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	5.19
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(1-ethylimidazol-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(O2)C)C3CC3

DOS

IR

Vibrations