Geometry & MOs

Info

ID:	167189
PubChem CID:	74793210
Reduced:	FOSN3C21H25 (1)
Stoich.:	ABCD3E21F25 (1)
Weight, g/mol:	339.188409
ΔH_f, kcal/mol:	15.85
Dipole, Da:	2.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797895
Charge, e:	1

Chem-info

IUPAC name:

2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-7-aza-2-azoniaspiro[4.5]decan-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C2=NN(C=C2C[NH+](C)C3CCOC3)C4=CC=CC=C4F

DOS

IR

Vibrations