Geometry & MOs

Info

ID:	432303
PubChem CID:	135172436
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	317.14189
ΔH_f, kcal/mol:	14.45
Dipole, Da:	1.3
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

O-[[2-[(1-methylazetidin-1-ium-1-yl)methyl]phenyl]-phenylphosphoryl]hydroxylamine

Drug info:

PubChemData

Smile

CC1=C2COC/C=C/COCC3=CC(=CC=C3)C4=NC(=NC=C4)NC(=C2)C=C1

DOS

IR

Vibrations