Geometry & MOs

Info

ID:	167015
PubChem CID:	74765785
Reduced:	BN2O4C6H15 (1)
Stoich.:	AB2C4D6E15 (1)
Weight, g/mol:	234.07712
ΔH_f, kcal/mol:	-259.36
Dipole, Da:	4.09
IP(EA), eV:	-9.5(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;chloride;hydrate

Drug info:

PubChemData

Smile

B([C@H](CC)NC(=O)[C@H](CO)N)(O)O

DOS

IR

Vibrations