Geometry & MOs

Info

ID:	194904
PubChem CID:	78606434
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	421.188923
ΔH_f, kcal/mol:	-203.88
Dipole, Da:	4.03
IP(EA), eV:	-9.1(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-hydroxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

DOS

IR

Vibrations