Geometry & MOs

Info

ID:	281496
PubChem CID:	103913955
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-99.38
Dipole, Da:	2.52
IP(EA), eV:	-8.99(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylcyclopropyl)-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations