Geometry & MOs

Info

ID:	151259
PubChem CID:	53790959
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	1.56
IP(EA), eV:	-8.99(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-4-[2-butoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1C2=CC=CC=C2O

DOS

IR

Vibrations