Geometry & MOs

Info

ID:	45414
PubChem CID:	10512919
Reduced:	NC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	215.97859
ΔH_f, kcal/mol:	64.71
Dipole, Da:	4.79
IP(EA), eV:	-9.07(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(hydroxymethyl)-5-methylphenol

Drug info:

PubChemData

Smile

CC(C)(C)CCC#C[C@H]1C[C@@H]1C2=CN=CN2

DOS

IR

Vibrations