Geometry & MOs

Info

ID:	9863
PubChem CID:	94035
Reduced:	NO6C21H29 (1)
Stoich.:	AB6C21D29 (1)
Weight, g/mol:	391.199488
ΔH_f, kcal/mol:	-247.83
Dipole, Da:	1.93
IP(EA), eV:	-8.82(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;2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations