Geometry & MOs

Info

ID:	391352
PubChem CID:	135004458
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	427.116821
ΔH_f, kcal/mol:	-18.81
Dipole, Da:	7.09
IP(EA), eV:	-8.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(3-nitrophenyl)-2,3-dihydro-1H-benzo[f][1,3]benzoxazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

DOS

IR

Vibrations