Geometry & MOs

Info

ID:	85484
PubChem CID:	49875754
Reduced:	Cl2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	7.01
IP(EA), eV:	-8.44(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-adamantyl)-2-ethoxybenzoic acid

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C=C(C=C(C3=O)Cl)Cl

DOS

IR

Vibrations