Geometry & MOs

Info

ID:	396106
PubChem CID:	135027397
Reduced:	OC6H6 (4)
Stoich.:	AB6C6 (4)
Weight, g/mol:	285.147521
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	3.56
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-deuterio-6-hydroxy-2-phenyl-4-propan-2-ylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1O)CCOCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations