Geometry & MOs

Info

ID:	29600
PubChem CID:	835718
Reduced:	FO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	1.93
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations