Geometry & MOs

Info

ID:	191555
PubChem CID:	78163226
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	355.119988
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	5.08
IP(EA), eV:	-9.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)C3=C(C(=O)N(C(=C3C#N)N)N)C#N

DOS

IR

Vibrations