Geometry & MOs

Info

ID:	159723
PubChem CID:	57288668
Reduced:	O2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	2.13
IP(EA), eV:	-9.13(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(COC=CC)O

DOS

IR

Vibrations