Geometry & MOs

Info

ID:	192706
PubChem CID:	78302763
Reduced:	O3N6C28H36 (1)
Stoich.:	A3B6C28D36 (1)
Weight, g/mol:	348.154603
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	2.44
IP(EA), eV:	-8.63(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations