Geometry & MOs

Info

ID:	196276
PubChem CID:	78804383
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	2.8
IP(EA), eV:	-9.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-5-propan-2-ylphenyl) 2-(4-acetamidophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)CNC(=O)C)C(C)C

DOS

IR

Vibrations