Geometry & MOs

Info

ID:	205444
PubChem CID:	80102513
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	4.41
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-4-methylphenoxy)methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)COC2=C(C=C(C=C2)N)C#N

DOS

IR

Vibrations