Geometry & MOs

Info

ID:	352646
PubChem CID:	127283735
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	8.28
IP(EA), eV:	-8.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)C2=CC(=CC=C2)NCC(=O)N3CCNC3=O

DOS

IR

Vibrations