Geometry & MOs

Info

ID:	56802
PubChem CID:	22390434
Reduced:	OCl2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	254.167065
ΔH_f, kcal/mol:	-80.45
Dipole, Da:	4.33
IP(EA), eV:	-9.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-adamantyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C(=C1)Cl)C2CC(CC(C2)(C)C)(C)C)Cl

DOS

IR

Vibrations