Geometry & MOs

Info

ID:	215839
PubChem CID:	85085325
Reduced:	NO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	174.057532
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	3.67
IP(EA), eV:	-9.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-5-(nitrosomethylidene)-1,2,4-triazinane

Drug info:

PubChemData

Smile

CC(C(C=CC1=COC=N1)O)O

DOS

IR

Vibrations