Geometry & MOs

Info

ID:	64932
PubChem CID:	29204214
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	332.140389
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	7.05
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)N)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations