Geometry & MOs

Info

ID:	28013
PubChem CID:	824851
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-147.23
Dipole, Da:	3.62
IP(EA), eV:	-9.79(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-phenyl-2-adamantyl)acetate

Drug info:

PubChemData

Smile

C[C@H]([C@H]1[C@@H]2CCOC3(N2C1=O)CCCCC3)O

DOS

IR

Vibrations