Geometry & MOs

Info

ID:	397325
PubChem CID:	135030044
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	337.188923
ΔH_f, kcal/mol:	-233.58
Dipole, Da:	3.64
IP(EA), eV:	-9.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(1-adamantylcarbamoyl)propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C(=O)OCC

DOS

IR

Vibrations