Geometry & MOs

Info

ID:	265387
PubChem CID:	103519295
Reduced:	FBr2O2N3H8C12 (1)
Stoich.:	AB2C2D3E8F12 (1)
Weight, g/mol:	299.02694
ΔH_f, kcal/mol:	8.46
Dipole, Da:	5.35
IP(EA), eV:	-9.67(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNC2=C(C=NC=C2[N+](=O)[O-])Br)F

DOS

IR

Vibrations