Geometry & MOs

Info

ID:	145000
PubChem CID:	53447485
Reduced:	ClO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	442.096331
ΔH_f, kcal/mol:	-2.71
Dipole, Da:	4.41
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)methylideneamino]-5-(2-methoxynaphthalen-1-yl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1CC(NN1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC

DOS

IR

Vibrations