Geometry & MOs

Info

ID:	191557
PubChem CID:	78163966
Reduced:	ClN5H16C17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	355.119988
ΔH_f, kcal/mol:	123.13
Dipole, Da:	5.26
IP(EA), eV:	-8.76(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations