Geometry & MOs

Info

ID:	253430
PubChem CID:	103118377
Reduced:	BrON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	62.7
Dipole, Da:	6.09
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=NC=CC(=C3)Br

DOS

IR

Vibrations