Geometry & MOs

Info

ID:	438264
PubChem CID:	135227992
Reduced:	BrON3C20H28 (1)
Stoich.:	ABC3D20E28 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	0.84
Dipole, Da:	3.04
IP(EA), eV:	-7.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-4-ylmethyl)pyridine

Drug info:

PubChemData

Smile

CC/C=C/C(=C(\C=C(/C)\Br)/NC(C1CCOCC1)C2=CC=CC=N2)/N

DOS

IR

Vibrations