Geometry & MOs

Info

ID:	205477
PubChem CID:	80109569
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	289.94577
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	3.68
IP(EA), eV:	-9.22(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NC2COC2

DOS

IR

Vibrations