Geometry & MOs

Info

ID:	253052
PubChem CID:	103115724
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	295.110296
ΔH_f, kcal/mol:	19.08
Dipole, Da:	6.56
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CCCN)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations