Geometry & MOs

Info

ID:	6612
PubChem CID:	69231
Reduced:	OH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	212.08373
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	3.01
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations