Geometry & MOs

Info

ID:	375462
PubChem CID:	131529821
Reduced:	BrON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	0.91
Dipole, Da:	5.03
IP(EA), eV:	-9.29(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-nitroso-2,3,4,5-tetrahydro-1-benzoxepine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Br)O)C(CC#N)N

DOS

IR

Vibrations