Geometry & MOs

Info

ID:	153857
PubChem CID:	56313186
Reduced:	BrO4N6H17C19 (1)
Stoich.:	AB4C6D17E19 (1)
Weight, g/mol:	354.03275
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	7.42
IP(EA), eV:	-9.43(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C)[N+](=O)[O-]

DOS

IR

Vibrations