Geometry & MOs

Info

ID:	155946
PubChem CID:	56368436
Reduced:	BrCl2N3O3H10C14 (1)
Stoich.:	AB2C3D3E10F14 (1)
Weight, g/mol:	398.99853
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	3.66
IP(EA), eV:	-9.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-(4-chloro-2-methoxybenzoyl)-1-ethylpyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)NNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations