Geometry & MOs

Info

ID:	399989
PubChem CID:	135044368
Reduced:	FOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	273.07283
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	3.08
IP(EA), eV:	-9.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(butan-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCC[C@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2F

DOS

IR

Vibrations