Geometry & MOs

Info

ID:	191558
PubChem CID:	78163967
Reduced:	ClON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	355.119988
ΔH_f, kcal/mol:	80.56
Dipole, Da:	5.58
IP(EA), eV:	-8.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloroanilino)-5-[(2-methoxyphenyl)methylideneamino]pyrazolidine-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=NC2C(C(NN2)NC3=CC=C(C=C3)Cl)C#N

DOS

IR

Vibrations