Geometry & MOs

Info

ID:	282833
PubChem CID:	103941451
Reduced:	SN3O3C10H13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-10.41
Dipole, Da:	4.04
IP(EA), eV:	-9.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-nitro-5-piperidin-1-ylthiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)N(C)CCC#N)[N+](=O)[O-])O

DOS

IR

Vibrations