Geometry & MOs

Info

ID:	314966
PubChem CID:	126624048
Reduced:	ClFO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	435.19765
ΔH_f, kcal/mol:	-224.66
Dipole, Da:	7.62
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-adamantylmethoxy)-5-chloro-2-fluoro-N-methylanilino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1C23CC4CC(C2)CC(C4)C3)Cl)C(=O)C5CCCC5C(=O)O)F

DOS

IR

Vibrations