Geometry & MOs

Info

ID:	37815
PubChem CID:	8024795
Reduced:	NO3C27H34 (1)
Stoich.:	AB3C27D34 (1)
Weight, g/mol:	347.188529
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	3.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110384
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-phenyl-2-[4-[(2-phenylethylamino)methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[C@@H](COC2=C(C=C(C=C2)C[NH2+]CCC3=CC=CC=C3)OC)O)C

DOS

IR

Vibrations