Geometry & MOs

Info

ID:	11907
PubChem CID:	123126
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	3.4
IP(EA), eV:	-9.68(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations