Geometry & MOs

Info

ID:	264199
PubChem CID:	103440187
Reduced:	ClN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	308.062693
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	4.85
IP(EA), eV:	-9.26(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-4-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(CCC(=O)O)Cl)C

DOS

IR

Vibrations