Geometry & MOs

Info

ID:	43568
PubChem CID:	10321480
Reduced:	NO8C23H31 (1)
Stoich.:	AB8C23D31 (1)
Weight, g/mol:	449.183838
ΔH_f, kcal/mol:	-313.81
Dipole, Da:	6.92
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-hydroxy-3-(4-nitrophenyl)-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1C(=C(NC(=C1C(=O)OCCCOC2=CC(=C(C(=C2)OC)OC)OC)C)C)C(=O)OC

DOS

IR

Vibrations