Geometry & MOs

Info

ID:	29994
PubChem CID:	838785
Reduced:	BrN3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	296.104859
ΔH_f, kcal/mol:	84.11
Dipole, Da:	3.49
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3,4-dimethoxyphenyl)methylidene]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations