Geometry & MOs

Info

ID:	318203
PubChem CID:	126649552
Reduced:	ON10C22H22 (1)
Stoich.:	AB10C22D22 (1)
Weight, g/mol:	682.496111
ΔH_f, kcal/mol:	140.8
Dipole, Da:	9.68
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[3-(2-carboxyethyl)-2-methyl-3-phenyldecan-2-yl]phenyl]propan-2-yl]-4-phenylundecanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N)C(=O)NCCC5=CN=CN5

DOS

IR

Vibrations