Geometry & MOs

Info

ID:	46567
PubChem CID:	10525272
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	404.198759
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.4
IP(EA), eV:	-9.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[3-(4-methylphenyl)propoxy]-3,3-diphenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N(C(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations