Geometry & MOs

Info

ID:	253474
PubChem CID:	103118667
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	57.56
Dipole, Da:	4.15
IP(EA), eV:	-8.22(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(3-imidazol-1-ylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C(NN=C2N)C3=NN(C=C3)C)OC

DOS

IR

Vibrations