Geometry & MOs

Info

ID:	164573
PubChem CID:	74418573
Reduced:	ON3C18H26 (1)
Stoich.:	AB3C18D26 (1)
Weight, g/mol:	334.242042
ΔH_f, kcal/mol:	12.18
Dipole, Da:	6.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762798
Charge, e:	2

Chem-info

IUPAC name:

9-[(4-fluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazoniaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)C[NH2+]C2CC3=CC=CC=C3OC2

DOS

IR

Vibrations