Geometry & MOs

Info

ID:	56014
PubChem CID:	17403763
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	4.29
IP(EA), eV:	-9.4(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations