Geometry & MOs

Info

ID:	49354
PubChem CID:	11532903
Reduced:	FNOC14H18 (2)
Stoich.:	ABCD14E18 (2)
Weight, g/mol:	470.278072
ΔH_f, kcal/mol:	-174.7
Dipole, Da:	1.29
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]-3-(2-methoxyethoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCN([C@H]([C@@]1(C2=CC=CC=C2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C

DOS

IR

Vibrations