Geometry & MOs

Info

ID:	173600
PubChem CID:	75659533
Reduced:	FNO3C25H33 (1)
Stoich.:	ABC3D25E33 (1)
Weight, g/mol:	357.209065
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753567
Charge, e:	1

Chem-info

IUPAC name:

8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(4-fluorophenyl)-8-azoniabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C[NH+]2CCC3(CC2)CC(C4=C(O3)C=CC(=C4)F)O)O

DOS

IR

Vibrations