Geometry & MOs

Info

ID:	294378
PubChem CID:	117454956
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)C(C)CC=O)Br

DOS

IR

Vibrations