Geometry & MOs

Info

ID:	271029
PubChem CID:	103640609
Reduced:	IN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-15.11
Dipole, Da:	8.21
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C2=CC(=C(C=C2)[N+](=O)[O-])I

DOS

IR

Vibrations