Geometry & MOs

Info

ID:	291562
PubChem CID:	113443340
Reduced:	NCl2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	320.00481
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	4.75
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methoxyphenoxy)-1-phenylethanone

Drug info:

PubChemData

Smile

COC1(CCOC1)CNCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations