Geometry & MOs

Info

ID:	30407
PubChem CID:	841266
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	285.019271
ΔH_f, kcal/mol:	9.25
Dipole, Da:	10.66
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aS)-7-chloro-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])C

DOS

IR

Vibrations