Geometry & MOs

Info

ID:	270547
PubChem CID:	103637086
Reduced:	BrN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	2.54
IP(EA), eV:	-9.05(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(6-methoxypyridin-3-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations