Geometry & MOs

Info

ID:	399881
PubChem CID:	135043442
Reduced:	BrN3O3H6C9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	269.091275
ΔH_f, kcal/mol:	-1.4
Dipole, Da:	4.34
IP(EA), eV:	-9.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-cyano-4H-chromen-4-yl)-2-cyanoacetohydrazide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)NC(=NC2=O)C[N+](=O)[O-]

DOS

IR

Vibrations