Geometry & MOs

Info

ID:	165797
PubChem CID:	74599610
Reduced:	N3O3C23H30 (1)
Stoich.:	A3B3C23D30 (1)
Weight, g/mol:	472.263388
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039832
Charge, e:	1

Chem-info

IUPAC name:

[2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-phenylethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)CCCN1C2=CC=CC=C2OC1=O)C3=CC=CC=C3

DOS

IR

Vibrations