Geometry & MOs

Info

ID:	179814
PubChem CID:	76534902
Reduced:	ClN5O6C34H42 (1)
Stoich.:	AB5C6D34E42 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-151.28
Dipole, Da:	2.47
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate

Drug info:

PubChemData

Smile

COCCCC1=CC(=C(C=C1)Cl)CN(C2CC2)C(=O)C3CNCC(=O)N3C4=CN=C(N=C4)OCCCOCC5=CC=CC=C5OC

DOS

IR

Vibrations