Geometry & MOs

Info

ID:	9060
PubChem CID:	85698
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-132.74
Dipole, Da:	4.78
IP(EA), eV:	-10.42(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-1-adamantyl)acetic acid

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)CC(=O)O

DOS

IR

Vibrations