Geometry & MOs

Info

ID:	320067
PubChem CID:	126658128
Reduced:	FO3N5C29H36 (1)
Stoich.:	AB3C5D29E36 (1)
Weight, g/mol:	549.01022
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	4.74
IP(EA), eV:	-8.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(3-bromophenyl)-3-[(triethoxy-lambda5-phosphanylidene)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2CCC[C@@H]2C3=CC4=C(C=C3F)N=C(N4)[C@@H]5CCCN5C(=O)CNC(=O)OC

DOS

IR

Vibrations