Geometry & MOs

Info

ID:	46036
PubChem CID:	10520678
Reduced:	BrNO3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	334.05421
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	1.44
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexylpyridin-1-ium-3-carboxamide;iodide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/OC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations