Geometry & MOs

Info

ID:	38920
PubChem CID:	8138159
Reduced:	BrN4O4H11C12 (1)
Stoich.:	AB4C4D11E12 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	2.27
IP(EA), eV:	-9.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations