Geometry & MOs

Info

ID:	61856
PubChem CID:	26714290
Reduced:	BrCl2N2O3H13C18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	466.016637
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	3.77
IP(EA), eV:	-9.6(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N'-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

DOS

IR

Vibrations