Geometry & MOs

Info

ID:	130019
PubChem CID:	51074626
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-111.98
Dipole, Da:	3.52
IP(EA), eV:	-8.96(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N)C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations