Geometry & MOs

Info

ID:	264346
PubChem CID:	103456231
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	2.34
IP(EA), eV:	-9.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxyphenyl)-2-hydroxy-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)CC1=CC(=CN=C1)Br)O

DOS

IR

Vibrations