Geometry & MOs

Info

ID:	145001
PubChem CID:	53447486
Reduced:	ClON2H10C11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	416.08479
ΔH_f, kcal/mol:	27.35
Dipole, Da:	5.63
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethylideneamino]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C3CC(NN3)C(=O)NN=CC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations