Geometry & MOs

Info

ID:	194905
PubChem CID:	78606499
Reduced:	NO5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-187.88
Dipole, Da:	5.31
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

DOS

IR

Vibrations