Geometry & MOs

Info

ID:	180012
PubChem CID:	76567041
Reduced:	ON5C6H13 (1)
Stoich.:	AB5C6D13 (1)
Weight, g/mol:	478.189257
ΔH_f, kcal/mol:	13.27
Dipole, Da:	2.99
IP(EA), eV:	-8.66(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-isocyanophenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)N=NN

DOS

IR

Vibrations