Geometry & MOs

Info

ID:	434714
PubChem CID:	135175571
Reduced:	ClF2N3O4C37H38 (1)
Stoich.:	AB2C3D4E37F38 (1)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-219.68
Dipole, Da:	7.57
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclopentyloxynaphthalen-2-yl)-2-methoxyacetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)[C@H](C(=O)N[C@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)O

DOS

IR

Vibrations