Geometry & MOs

Info

ID:	178868
PubChem CID:	76393231
Reduced:	NO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	348.196154
ΔH_f, kcal/mol:	-247.11
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3-fluorophenoxy)piperidin-4-ylidene]-nitrosomethyl]-N,N-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1COCC(N1CC2=C3C(=C(C=C2O)O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)C

DOS

IR

Vibrations