Geometry & MOs

Info

ID:	280479
PubChem CID:	103849491
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	333.97198
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	7.39
IP(EA), eV:	-9.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations