Geometry & MOs

Info

ID:	224644
PubChem CID:	85345540
Reduced:	SeO3N4C9H12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-33.84
Dipole, Da:	7.44
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-ethoxy-9-nitro-5,6,7,8-tetrahydro-4bH-phenanthrene-1,4-diol

Drug info:

PubChemData

Smile

CC(=C1C(=O)N=C([Se]1)N(C)C)N=NC(=O)OC

DOS

IR

Vibrations