Geometry & MOs

Info

ID:	189314
PubChem CID:	77840371
Reduced:	SN2O6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	4.52
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC(CC1=C(N2C(S1)C(C2=O)CO)C(=O)OCOC(=O)C(C)(C)C)N3C=CC=C3

DOS

IR

Vibrations