Geometry & MOs

Info

ID:	432977
PubChem CID:	135173114
Reduced:	NCl2O6C53H85 (1)
Stoich.:	AB2C6D53E85 (1)
Weight, g/mol:	262.080536
ΔH_f, kcal/mol:	-405.61
Dipole, Da:	4.05
IP(EA), eV:	-8.42(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,4-difluorophenyl)-2-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations