Geometry & MOs

Info

ID:	268548
PubChem CID:	103599879
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	302.107357
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	3.36
IP(EA), eV:	-8.92(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-ylphenoxy)-1-(4-chlorophenyl)ethanone

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC(C)C(=O)NC2CC2

DOS

IR

Vibrations