Geometry & MOs

Info

ID:	145002
PubChem CID:	53447487
Reduced:	BrO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	21.37
Dipole, Da:	4.06
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations