Geometry & MOs

Info

ID:	146122
PubChem CID:	53638880
Reduced:	BrNH8C10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	461.168581
ΔH_f, kcal/mol:	44.46
Dipole, Da:	3.09
IP(EA), eV:	-9.28(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,6-dioxo-4-(2-oxooxan-4-yl)cyclohexyl]-nitrosomethyl]-5-(2-oxooxan-4-yl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1=C2C=C(C=NC2=CC=C1)Br

DOS

IR

Vibrations