Geometry & MOs

Info

ID:	427688
PubChem CID:	135161335
Reduced:	ClON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	345.172024
ΔH_f, kcal/mol:	90.39
Dipole, Da:	4.07
IP(EA), eV:	-8.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-amino-1-chloro-2-phenylethenyl]-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=C2/C(=C(/C3=CC=CC=C3)\N)/Cl)N)CC4=COC=N4

DOS

IR

Vibrations