Geometry & MOs

Info

ID:	447712
PubChem CID:	135284978
Reduced:	OSN6H20C23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	114.33
Dipole, Da:	7.79
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-azabicyclo[3.1.0]hexan-1-yl)-2-ethoxynaphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)C(C4=NC5=CC=CC=C5S4)OC6=CC=CC=C6

DOS

IR

Vibrations