Geometry & MOs

Info

ID:	198901
PubChem CID:	79169870
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	313.10413
ΔH_f, kcal/mol:	0.76
Dipole, Da:	4.36
IP(EA), eV:	-9.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-6-methyl-3-octoxypyridine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCCC2=CN=CC=C2)CCl

DOS

IR

Vibrations