Geometry & MOs

Info

ID:	54166
PubChem CID:	14735567
Reduced:	BrC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	427.16444
ΔH_f, kcal/mol:	9.48
Dipole, Da:	2.55
IP(EA), eV:	-10.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4Z)-3-methyl-4-[(2-methylphenyl)hydrazinylidene]-5-oxopyrazol-1-yl]-N-naphthalen-2-yl-3-oxopropanamide

Drug info:

PubChemData

Smile

CC1CC2(C1C)CC2(Br)Br

DOS

IR

Vibrations