Geometry & MOs

Info

ID:	133856
PubChem CID:	51601612
Reduced:	OSN5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	435.256015
ΔH_f, kcal/mol:	99.66
Dipole, Da:	5.46
IP(EA), eV:	-8.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-7-aza-2-azoniaspiro[4.5]decane

Drug info:

PubChemData

Smile

C/C(=N\N1C(=NNC1=S)C2=CC=C(C=C2)OC)/C3=CN=CC=C3

DOS

IR

Vibrations