Geometry & MOs

Info

ID:	52069
PubChem CID:	12014852
Reduced:	PN3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	349.134399
ΔH_f, kcal/mol:	48.45
Dipole, Da:	1.63
IP(EA), eV:	-8.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS)-2-phenyl-1-quinolin-8-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide

Drug info:

PubChemData

Smile

C1C[C@H]2CN([P@@](N2C1)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations