Geometry & MOs

Info

ID:	283013
PubChem CID:	103953049
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-133.58
Dipole, Da:	2.57
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(4-chlorophenyl)ethylamino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNCC2=C(C(=C(C=C2)O)O)O

DOS

IR

Vibrations