Geometry & MOs

Info

ID:	167469
PubChem CID:	74832374
Reduced:	ClN3O5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	1111.373798
ΔH_f, kcal/mol:	-92.34
Dipole, Da:	3.4
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,7-di(propan-2-yl)-3,3,8,8-tetrakis[4-[4-(trifluoromethyl)phenyl]phenyl]-1,4,6,9-tetraza-5-phosphoniaspiro[4.4]nonane

Drug info:

PubChemData

Smile

C#CC1C2C(C(NO2)C3=CC=C(C=C3)Cl)C(=O)C(N1)C(=O)NCC(=O)O

DOS

IR

Vibrations