Geometry & MOs

Info

ID:	336536
PubChem CID:	127255543
Reduced:	O2N4C11H24 (1)
Stoich.:	A2B4C11D24 (1)
Weight, g/mol:	215.071306
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	6.24
IP(EA), eV:	-9.26(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(4-methylphenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(=NCCCC[C@H](C(=O)O)N)N

DOS

IR

Vibrations