Geometry & MOs

Info

ID:	193398
PubChem CID:	78389612
Reduced:	OSN3H7C9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	93.5
Dipole, Da:	3.64
IP(EA), eV:	-9.19(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN1C(=C2C=CC(=O)C=C2)N=NC1=S

DOS

IR

Vibrations