Geometry & MOs

Info

ID:	184242
PubChem CID:	77132411
Reduced:	N5O7C26H27 (1)
Stoich.:	A5B7C26D27 (1)
Weight, g/mol:	391.068346
ΔH_f, kcal/mol:	-158.18
Dipole, Da:	4.89
IP(EA), eV:	-8.85(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylphenyl)-5-[[(2,4-dioxo-1,3-diazinan-5-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)N(C3=O)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations