Geometry & MOs

Info

ID:	373536
PubChem CID:	131316604
Reduced:	N4H6C9 (1)
Stoich.:	A4B6C9 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	94.46
Dipole, Da:	3.0
IP(EA), eV:	-9.1(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(5-nitrothiophen-3-yl)methyl]piperidine

Drug info:

PubChemData

Smile

C1=CN=C2C=C(C(=CC2=N1)C#N)N

DOS

IR

Vibrations