Geometry & MOs

Info

ID:	125781
PubChem CID:	50937878
Reduced:	BrFNO3C16H17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	402.174843
ΔH_f, kcal/mol:	-160.56
Dipole, Da:	4.2
IP(EA), eV:	-9.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azoniabicyclo[3.3.1]nonan-3-yl]urea

Drug info:

PubChemData

Smile

C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)NC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations