Geometry & MOs

Info

ID:	424229
PubChem CID:	135121837
Reduced:	BrN2O3C14H22 (2)
Stoich.:	AB2C3D14E22 (2)
Weight, g/mol:	407.07059
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	19.0
IP(EA), eV:	-8.03(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(dimethylcarbamoyloxy)anilino]-2-oxoethyl]-trimethylazanium;iodide

Drug info:

PubChemData

Smile

CC[N+](CC)(CCOCCOCC[N+](CC)(CC)CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-].[Br-].[Br-]

DOS

IR

Vibrations