Geometry & MOs

Info

ID:	197435
PubChem CID:	78965654
Reduced:	BrN3O3H6C9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	3.44
Dipole, Da:	4.65
IP(EA), eV:	-10.08(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxy-4-methylpentan-2-yl)amino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC(=O)CBr

DOS

IR

Vibrations