Geometry & MOs

Info

ID:	244326
PubChem CID:	99344000
Reduced:	ON5H17C23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	390.065031
ΔH_f, kcal/mol:	122.1
Dipole, Da:	5.82
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,4-dichlorophenoxy)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)NC3=CN(N=C3)CC4=CC=NC=C4

DOS

IR

Vibrations