Geometry & MOs

Info

ID:	253061
PubChem CID:	103115793
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	45.81
Dipole, Da:	2.42
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(cyclobutylmethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)NCC3=CC=CC(=C3)CN

DOS

IR

Vibrations