Geometry & MOs

Info

ID:	203042
PubChem CID:	79767521
Reduced:	BrN3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	21.93
Dipole, Da:	5.73
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1-cyclopropylpropyl)-3-nitroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=CN=CO2)[N+](=O)[O-])Br

DOS

IR

Vibrations