Geometry & MOs

Info

ID:	244328
PubChem CID:	99344038
Reduced:	ON3H9C12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	356.104003
ΔH_f, kcal/mol:	88.5
Dipole, Da:	2.69
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CN(N=C4)CC5=CC=NC=C5

DOS

IR

Vibrations