Geometry & MOs

Info

ID:	304274
PubChem CID:	124500468
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	1.04
IP(EA), eV:	-9.27(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CCO[C@@H](C)C1=CC=C(C=C1)CC(=O)OC

DOS

IR

Vibrations