Geometry & MOs

Info

ID:	1098
PubChem CID:	3783
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	2.4
IP(EA), eV:	-8.9(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol

Drug info:

PubChemData

Smile

CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O

DOS

IR

Vibrations