Geometry & MOs

Info

ID:	341919
PubChem CID:	127264612
Reduced:	Br2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	231.066221
ΔH_f, kcal/mol:	57.34
Dipole, Da:	2.99
IP(EA), eV:	-9.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=NC=C1CNCC2=CN=C(C=C2)Br)Br

DOS

IR

Vibrations