Geometry & MOs

Info

ID:	216193
PubChem CID:	85085865
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	244.135782
ΔH_f, kcal/mol:	38.27
Dipole, Da:	2.48
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-nitrosobutylidene)-3-propan-2-ylsulfanyl-1,2,4-triazinane

Drug info:

PubChemData

Smile

CN1CCCN=C1C=CC2=CC3=CC=CC=C3O2

DOS

IR

Vibrations