Geometry & MOs

Info

ID:	399813
PubChem CID:	135042892
Reduced:	ClO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	272.07758
ΔH_f, kcal/mol:	-241.92
Dipole, Da:	4.88
IP(EA), eV:	-9.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-methylcyclohexen-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC(=O)C[C@@](C1=CC=C(C=C1)Cl)(C(F)(F)F)O

DOS

IR

Vibrations