Geometry & MOs

Info

ID:	7449
PubChem CID:	72729
Reduced:	N4O4C15H16 (1)
Stoich.:	A4B4C15D16 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	12.52
Dipole, Da:	6.07
IP(EA), eV:	-10.08(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,7,7-tetramethyl-3-(3-nitrophenyl)-4-oxidofuro[3,4-e][1,2,4]triazin-4-ium

Drug info:

PubChemData

Smile

CC1(C2=C(C(O1)(C)C)[N+](=C(N=N2)C3=CC(=CC=C3)[N+](=O)[O-])[O-])C

DOS

IR

Vibrations