Geometry & MOs

Info

ID:	253462
PubChem CID:	103118612
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	280.128388
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	4.96
IP(EA), eV:	-9.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations