Geometry & MOs

Info

ID:	200689
PubChem CID:	79428140
Reduced:	BrNO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-26.59
Dipole, Da:	2.62
IP(EA), eV:	-8.93(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-2-methylpropyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CON)Br

DOS

IR

Vibrations