Geometry & MOs

Info

ID:	167205
PubChem CID:	74793226
Reduced:	OS2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	449.280418
ΔH_f, kcal/mol:	62.51
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.142779
Charge, e:	1

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[[8-(3-phenylpropyl)-1-oxa-8-azoniaspiro[4.5]decan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC2=CSC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

DOS

IR

Vibrations