Geometry & MOs

Info

ID:	20497
PubChem CID:	584282
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	72.2
Dipole, Da:	6.17
IP(EA), eV:	-9.65(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(4-nitrophenyl)-6-phenyl-5,6-dihydro-1,2,4,5-oxatriazine

Drug info:

PubChemData

Smile

CN1C(=NOC(N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations