Geometry & MOs

Info

ID:	282213
PubChem CID:	103918905
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	4.22
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-1-methyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=C(SC=C2)C(=O)NCCCCCCO

DOS

IR

Vibrations