Geometry & MOs

Info

ID:	216128
PubChem CID:	85085765
Reduced:	ClON2H7C12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	229.99424
ΔH_f, kcal/mol:	47.75
Dipole, Da:	6.93
IP(EA), eV:	-10.07(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoprop-2-enyl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=NC(C3=NC2=O)Cl

DOS

IR

Vibrations