Geometry & MOs

Info

ID:	226875
PubChem CID:	87558742
Reduced:	NaC2S4H6 (1)
Stoich.:	AB2C4D6 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-44.88
Dipole, Da:	8.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756385
Charge, e:	0

Chem-info

IUPAC name:

N-pentyl-N-piperidin-4-ylformamide

Drug info:

PubChemData

Smile

C.C1SSSS1.[Na]

DOS

IR

Vibrations