Geometry & MOs

Info

ID:	270564
PubChem CID:	103637122
Reduced:	BrON2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	4.9
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations