Geometry & MOs

Info

ID:	374244
PubChem CID:	131325777
Reduced:	O2N4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	231.97351
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	4.92
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(hydroxymethyl)-5-methoxyphenol

Drug info:

PubChemData

Smile

COC(=O)CC1=C2N=CC(=CN2N=C1)N

DOS

IR

Vibrations