Geometry & MOs

Info

ID:	284504
PubChem CID:	104051594
Reduced:	BrO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	-84.78
Dipole, Da:	2.48
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-phenylethanone

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1=C(C(=CC(=C1C)Br)C)OC

DOS

IR

Vibrations