Geometry & MOs

Info

ID:	226410
PubChem CID:	87351892
Reduced:	OPtI2F3N3C20H20 (1)
Stoich.:	ABC2D3E3F20G20 (1)
Weight, g/mol:	286.05684
ΔH_f, kcal/mol:	-27.98
Dipole, Da:	8.03
IP(EA), eV:	-8.18(-3.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-(2-methyl-2-adamantyl)acetic acid

Drug info:

PubChemData

Smile

CN1C=CN(C1=[Pt])CC2=CC=C(C=C2)OC.C1=CC(=CC=C1CN(I)I)C(F)(F)F

DOS

IR

Vibrations