Geometry & MOs

Info

ID:	310764
PubChem CID:	126587280
Reduced:	BrN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	599.250886
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	2.8
IP(EA), eV:	-8.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2OCC3=NC=CO3)Br

DOS

IR

Vibrations