Geometry & MOs

Info

ID:	126050
PubChem CID:	50949885
Reduced:	N8C13H20 (1)
Stoich.:	A8B13C20 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	92.81
Dipole, Da:	2.22
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylpyridin-2-yl)-spiro[azepane-4,2'-chromene]-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=NC(=C2)NCCCC3=NNN=N3

DOS

IR

Vibrations