Geometry & MOs

Info

ID:	181025
PubChem CID:	76715537
Reduced:	FSN3O7C40H48 (1)
Stoich.:	ABC3D7E40F48 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-280.68
Dipole, Da:	5.36
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylanilino)non-8-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC(=O)N5CC6=C(C5)C(=CC=C6)F)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations