Geometry & MOs

Info

ID:	29681
PubChem CID:	836436
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	286.136908
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	2.44
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylphenyl) 2-(2-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations