Geometry & MOs

Info

ID:	281795
PubChem CID:	103914377
Reduced:	O2N4C17H32 (1)
Stoich.:	A2B4C17D32 (1)
Weight, g/mol:	259.1606
ΔH_f, kcal/mol:	-114.95
Dipole, Da:	3.53
IP(EA), eV:	-9.18(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylcyclopentyl)methyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CCCCC(CNC(=O)OC(C)(C)C)NC(C)C1=NC=CN1C

DOS

IR

Vibrations