Geometry & MOs

Info

ID:	336485
PubChem CID:	127255492
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	292.98182
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	3.29
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-3-(4-bromophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)[C@H](CN)O.Cl

DOS

IR

Vibrations