Geometry & MOs

Info

ID:	407586
PubChem CID:	135080334
Reduced:	BrNOH8C11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	250.102751
ΔH_f, kcal/mol:	15.02
Dipole, Da:	6.21
IP(EA), eV:	-8.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=C/C(=C/2\C=C(C=CC2=O)Br)/NC=C1

DOS

IR

Vibrations