Geometry & MOs

Info

ID:	69944
PubChem CID:	47205841
Reduced:	BrO3N4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	3.86
IP(EA), eV:	-9.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NNC(=O)C1=CC(=CN1C)Br

DOS

IR

Vibrations