Geometry & MOs

Info

ID:	43103
PubChem CID:	10318559
Reduced:	BrN7H14C17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	149.9
Dipole, Da:	6.42
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,4-dioxochromen-3-yl)-11-oxododecanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=C(N=C4)N)Br

DOS

IR

Vibrations