Geometry & MOs

Info

ID:	393450
PubChem CID:	135020622
Reduced:	NC19H33 (1)
Stoich.:	AB19C33 (1)
Weight, g/mol:	348.03611
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	1.14
IP(EA), eV:	-8.43(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methoxyphenyl)-1-(2-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCCC/C=C/C=C/[C@@H]1CCC[C@@H]2[C@H]1C[C@@H]([C@@H](N2)C)C

DOS

IR

Vibrations