Geometry & MOs

Info

ID:	268541
PubChem CID:	103599855
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	302.107357
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	3.26
IP(EA), eV:	-9.61(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2C(=O)N(C(=O)N2)CC3=CC=CC=C3

DOS

IR

Vibrations