Geometry & MOs

Info

ID:	48454
PubChem CID:	10584900
Reduced:	ON6C9H10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	46.14
Dipole, Da:	2.86
IP(EA), eV:	-8.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-2-phenyl-2,3,6,9-tetrahydro-1,5-dioxonin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC2=NNN=C2C(=O)N

DOS

IR

Vibrations