Geometry & MOs

Info

ID:	265392
PubChem CID:	103519553
Reduced:	BrO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	314.03784
ΔH_f, kcal/mol:	13.68
Dipole, Da:	4.16
IP(EA), eV:	-9.42(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromo-5-nitropyridin-4-yl)piperidin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1CC(CNC1)CNC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations