Geometry & MOs

Info

ID:	337442
PubChem CID:	127257127
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	280.005785
ΔH_f, kcal/mol:	5.97
Dipole, Da:	4.49
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dichloro-2-hydroxy-3-methylphenyl)-phenylmethanone

Drug info:

PubChemData

Smile

CCCCCC/C=C/1\C(=NNC1=O)C2=CC=CC=C2

DOS

IR

Vibrations