Geometry & MOs

Info

ID:	29684
PubChem CID:	836451
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	2.76
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations