Geometry & MOs

Info

ID:	304268
PubChem CID:	124500410
Reduced:	BrN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	0.75
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-amino-1-[2-[(2S)-3-methylbutan-2-yl]oxyphenyl]ethanol

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=NC=C(O1)C(C)(C)C)Br

DOS

IR

Vibrations