Geometry & MOs

Info

ID:	161848
PubChem CID:	57392832
Reduced:	ClNO4C30H36 (1)
Stoich.:	ABC4D30E36 (1)
Weight, g/mol:	315.052506
ΔH_f, kcal/mol:	-151.01
Dipole, Da:	5.76
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dinitrophenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

C1CN(CCC1(CC2=CC=CC=C2)O)CC(COC3=CC=CC=C3C(=O)CCC4=CC=CC=C4)O.Cl

DOS

IR

Vibrations