Geometry & MOs

Info

ID:	197537
PubChem CID:	78975209
Reduced:	ClO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	7.96
IP(EA), eV:	-9.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(butan-2-ylamino)-2-oxoethoxy]-6-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations