Geometry & MOs

Info

ID:	253043
PubChem CID:	103115672
Reduced:	ON4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	-5.15
Dipole, Da:	5.77
IP(EA), eV:	-8.97(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCC(C2)N

DOS

IR

Vibrations