Geometry & MOs

Info

ID:	194126
PubChem CID:	78487736
Reduced:	OSCl2N2C16H21 (1)
Stoich.:	ABC2D2E16F21 (1)
Weight, g/mol:	412.223631
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	12.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755021
Charge, e:	1

Chem-info

IUPAC name:

2,6-bis(4-ethylphenyl)-4,4-dimethyl-3,5-dinitropiperidin-1-ium

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCN2C(SCC2=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations