Geometry & MOs

Info

ID:	46103
PubChem CID:	10521614
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	348.10046
ΔH_f, kcal/mol:	37.51
Dipole, Da:	2.29
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimorpholin-4-yl-1-oxo-1,2,6-thiadiazin-4-ylidene)propanedinitrile

Drug info:

PubChemData

Smile

COC1=CC(=NC(=C1)CNCC2=CC=CC=C2)CNCC3=CC=CC=C3

DOS

IR

Vibrations