Geometry & MOs

Info

ID:	20712
PubChem CID:	585343
Reduced:	FO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	302.168208
ΔH_f, kcal/mol:	-144.16
Dipole, Da:	1.8
IP(EA), eV:	-10.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl 2-fluorobenzoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations