Geometry & MOs

Info

ID:	12974
PubChem CID:	219444
Reduced:	OH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	212.08373
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	3.43
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations