Geometry & MOs

Info

ID:	379474
PubChem CID:	134434631
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	462.237939
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	2.83
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyridin-2-yl]-N-[(2S)-2-hydroxypropyl]-4-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)(C)NC(=O)C2=C(C=CC=N2)Cl

DOS

IR

Vibrations