Geometry & MOs

Info

ID:	159749
PubChem CID:	57288700
Reduced:	ON5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	347.116069
ΔH_f, kcal/mol:	27.73
Dipole, Da:	7.3
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-dihydroxy-[[(5R)-5-(2-oxo-1H-pyridin-4-yl)morpholin-2-ylidene]methyl]phosphanium

Drug info:

PubChemData

Smile

C1=C(C2=C(N1)C(=O)N=C(N2)N)CCC#N

DOS

IR

Vibrations