Geometry & MOs

Info

ID:	408714
PubChem CID:	135081482
Reduced:	O9C30H32 (1)
Stoich.:	A9B30C32 (1)
Weight, g/mol:	261.206878
ΔH_f, kcal/mol:	-356.13
Dipole, Da:	8.62
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-adamantyl-[(1R)-1-phenylethyl]azanide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@@H]4[C@@H]([C@H]([C@H](CO4)OC(=O)C=C(C)C)OC(=O)C=C(C)C)O)C=CC=C3O

DOS

IR

Vibrations