Geometry & MOs

Info

ID:	20630
PubChem CID:	584925
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	2.17
IP(EA), eV:	-9.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl 2-phenylacetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3OC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations