Geometry & MOs

Info

ID:	143399
PubChem CID:	53203220
Reduced:	ClFO2N5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	335.151288
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	3.3
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C4N3C=CC=C4Cl)F

DOS

IR

Vibrations