Geometry & MOs

Info

ID:	50064
PubChem CID:	11539124
Reduced:	NO8H19C22 (1)
Stoich.:	AB8C19D22 (1)
Weight, g/mol:	409.99504
ΔH_f, kcal/mol:	-167.77
Dipole, Da:	9.21
IP(EA), eV:	-9.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aS)-1-(2-bromo-4-chlorophenoxy)-2-phenyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4)[N+](=O)[O-]

DOS

IR

Vibrations