Geometry & MOs

Info

ID:	396049
PubChem CID:	135027290
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	525.14422
ΔH_f, kcal/mol:	-150.92
Dipole, Da:	1.66
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2,2-bis(trifluoromethylsulfonyl)ethyl]phenyl]-dipentylazanium

Drug info:

PubChemData

Smile

C/C(=C/1\C(C2=CC=CC=C2NC1=O)O)/OC(=O)C

DOS

IR

Vibrations