Geometry & MOs

Info

ID:	191556
PubChem CID:	78163965
Reduced:	ClON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	325.109423
ΔH_f, kcal/mol:	79.62
Dipole, Da:	5.0
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylideneamino)-5-(4-chloroanilino)pyrazolidine-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations