Geometry & MOs

Info

ID:	40320
PubChem CID:	8143928
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	292.044384
ΔH_f, kcal/mol:	74.42
Dipole, Da:	7.63
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-hydroxy-4-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)[N+](=O)[O-]

DOS

IR

Vibrations