Geometry & MOs

Info

ID:	14409
PubChem CID:	410839
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	319.157229
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	2.68
IP(EA), eV:	-8.81(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(benzylamino)-2-phenylethyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=C(C=C(C=C2)O)O)NCC3=CC=CC=C3

DOS

IR

Vibrations