Geometry & MOs

Info

ID:	406145
PubChem CID:	135076714
Reduced:	BrNO3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	7.94
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-2,2-dimethylpentan-1-one

Drug info:

PubChemData

Smile

CCCCCN(CC1=C(C=CC(=C1)OC)Br)C2=CC3=C(C=C2)C(=CC(=O)O3)C

DOS

IR

Vibrations