Geometry & MOs

Info

ID:	265390
PubChem CID:	103519551
Reduced:	BrO2N4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	314.03784
ΔH_f, kcal/mol:	110.15
Dipole, Da:	7.78
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-nitro-N-(piperidin-2-ylmethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C3=C(C=NC=C3[N+](=O)[O-])Br)N

DOS

IR

Vibrations