Geometry & MOs

Info

ID:	220298
PubChem CID:	85177271
Reduced:	OCl2N3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	243.02588
ΔH_f, kcal/mol:	1.71
Dipole, Da:	3.27
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethylidene)-4-ethyl-3-propylpyrrol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2C(=NNC2=O)N

DOS

IR

Vibrations