Geometry & MOs

Info

ID:	175090
PubChem CID:	75854529
Reduced:	SN5O5C21H27 (1)
Stoich.:	AB5C5D21E27 (1)
Weight, g/mol:	306.254538
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	8.9
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2,2-dimethylpropyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C)[N+](=O)[O-]

DOS

IR

Vibrations