Geometry & MOs

Info

ID:	265391
PubChem CID:	103519552
Reduced:	BrO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	314.03784
ΔH_f, kcal/mol:	17.46
Dipole, Da:	5.18
IP(EA), eV:	-9.37(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-nitro-N-(piperidin-3-ylmethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

C1CCNC(C1)CNC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations