Geometry & MOs

Info

ID:	169782
PubChem CID:	75146955
Reduced:	BrN3O5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	13.86
IP(EA), eV:	-8.87(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethoxypyridin-3-yl)-9a,11a-dimethyl-3,3a,3b,4,5,8,9,9b,10,11-decahydrocyclopenta[i]phenanthridin-7-one

Drug info:

PubChemData

Smile

COC1=CC(=C2NC(NO2)C3=CC=C(C=C3)Br)C=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations