Geometry & MOs

Info

ID:	341941
PubChem CID:	127264634
Reduced:	BrCl2N2C7H11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	231.066221
ΔH_f, kcal/mol:	-55.89
Dipole, Da:	6.95
IP(EA), eV:	-10.11(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1R)-1-amino-2-hydroxyethyl]benzoate;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)Br)N.Cl.Cl

DOS

IR

Vibrations