Geometry & MOs

Info

ID:	24522
PubChem CID:	610737
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	3.09
IP(EA), eV:	-9.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2,4-dimethylphenyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C)C

DOS

IR

Vibrations