Geometry & MOs

Info

ID:	204721
PubChem CID:	80000131
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-178.66
Dipole, Da:	6.56
IP(EA), eV:	-9.64(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyladamantane-1-carbonyl)-ethylamino]acetic acid

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N(C)CCC(=O)O)C

DOS

IR

Vibrations