Geometry & MOs

Info

ID:	17999
PubChem CID:	532526
Reduced:	O3H14C15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	4.55
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) 2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations