Geometry & MOs

Info

ID:	340918
PubChem CID:	127263353
Reduced:	BClN2O2C6H10 (1)
Stoich.:	ABC2D2E6F10 (1)
Weight, g/mol:	231.066221
ΔH_f, kcal/mol:	-169.8
Dipole, Da:	5.85
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1-amino-2-hydroxyethyl)benzoate;hydrochloride

Drug info:

PubChemData

Smile

B(C1=CC(=C(N=C1)N)C)(O)O.Cl

DOS

IR

Vibrations