Geometry & MOs

Info

ID:	297590
PubChem CID:	117622495
Reduced:	ClNF5O6H15C18 (1)
Stoich.:	ABC5D6E15F18 (1)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	-480.97
Dipole, Da:	4.23
IP(EA), eV:	-9.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-butoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CN(C(=O)C=C1C2=C(C=CC(=C2)Cl)OC(F)F)C(CCOC(F)(F)F)C(=O)O

DOS

IR

Vibrations