Geometry & MOs

Info

ID:	46778
PubChem CID:	10527240
Reduced:	NO3C29H33 (1)
Stoich.:	AB3C29D33 (1)
Weight, g/mol:	444.133063
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	5.28
IP(EA), eV:	-8.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenylazetidin-2-ylidene]-dimethylazanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)OC)CCCC4=CC=CC=C4

DOS

IR

Vibrations