Geometry & MOs

Info

ID:	392096
PubChem CID:	135012852
Reduced:	NO7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	227.154824
ΔH_f, kcal/mol:	-286.76
Dipole, Da:	6.15
IP(EA), eV:	-9.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,2S,3S,4S)-1,4-dimethyl-3-phenyl-1-prop-2-enylazetidin-1-ium-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1[C@H](OC2COC(O[C@H]2C1OC(=O)C)C3=CC=CC=C3)OC

DOS

IR

Vibrations