Geometry & MOs

Info

ID:	138598
PubChem CID:	52391444
Reduced:	N2O4C21H25 (1)
Stoich.:	A2B4C21D25 (1)
Weight, g/mol:	368.119951
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.973680
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-chloro-4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CCCOC)C(=O)C2=CC(=CC=C2)NCC(=O)[O-]

DOS

IR

Vibrations