Geometry & MOs

Info

ID:	178304
PubChem CID:	76310016
Reduced:	F5N6O6H25C30 (1)
Stoich.:	A5B6C6D25E30 (1)
Weight, g/mol:	392.27661
ΔH_f, kcal/mol:	-359.42
Dipole, Da:	13.84
IP(EA), eV:	-8.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl-dimethyl-tetradecylazanium;bromide

Drug info:

PubChemData

Smile

C[NH+](C)CCOC(=O)C1=C(C2=C3C(=C(C=C2N1CC4=CC5=C(C=C4F)NN=C5N)F)C=CO3)C6=CC=CNC6=O.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations