Geometry & MOs

Info

ID:	375346
PubChem CID:	131500036
Reduced:	BrOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	254.03063
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	4.45
IP(EA), eV:	-9.28(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)-5-ethylphenyl]propan-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC(=O)C)CBr

DOS

IR

Vibrations