Geometry & MOs

Info

ID:	267757
PubChem CID:	103588644
Reduced:	BrN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	33.19
Dipole, Da:	5.84
IP(EA), eV:	-9.95(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-nitrophenoxy)-2,2-dimethylpentanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations