Geometry & MOs

Info

ID:	272695
PubChem CID:	103751839
Reduced:	BrO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	3.32
IP(EA), eV:	-8.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-ethoxypropyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations