Geometry & MOs

Info

ID:	291646
PubChem CID:	113455706
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	3.37
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COCC2=CC(=CN=C2)Br

DOS

IR

Vibrations