Geometry & MOs

Info

ID:	265385
PubChem CID:	103519289
Reduced:	BrN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	3.04
Dipole, Da:	6.27
IP(EA), eV:	-9.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations