Geometry & MOs

Info

ID:	338197
PubChem CID:	127258889
Reduced:	BrClN2O2C9H12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	6.41
IP(EA), eV:	-10.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(4-cyclopropyloxyphenyl)ethanol

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=NC=C(C=C1)Br)N.Cl

DOS

IR

Vibrations