Geometry & MOs

Info

ID:	373238
PubChem CID:	131312064
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	275.95527
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	4.51
IP(EA), eV:	-8.97(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[3-(chloromethyl)-4-hydroxyphenyl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCCC1CC(CO)C#N

DOS

IR

Vibrations