Geometry & MOs

Info

ID:	82359
PubChem CID:	49855934
Reduced:	BrNO5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	275.995614
ΔH_f, kcal/mol:	-208.83
Dipole, Da:	2.58
IP(EA), eV:	-9.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dichloro-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=CC=CC=C1Br)NC(=O)OC(C)(C)C

DOS

IR

Vibrations