Geometry & MOs

Info

ID:	201999
PubChem CID:	79615915
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	8.01
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-(3-methoxyphenyl)butan-2-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N=C(N1)C(C)OC)Br

DOS

IR

Vibrations