Geometry & MOs

Info

ID:	448427
PubChem CID:	135290817
Reduced:	IF4N5O5C31H38 (1)
Stoich.:	AB4C5D5E31F38 (1)
Weight, g/mol:	403.07567
ΔH_f, kcal/mol:	-363.46
Dipole, Da:	7.8
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-iodopyridin-2-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)I)C(CN(CC2=C(C=C(C=C2F)C3=CN(C=N3)C(F)F)F)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations