Geometry & MOs

Info

ID:	11695
PubChem CID:	119285
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	400.199822
ΔH_f, kcal/mol:	-184.06
Dipole, Da:	4.42
IP(EA), eV:	-9.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzoylphenyl)propanoic acid;(2R)-2,6-diaminohexanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@H](C(=O)O)N

DOS

IR

Vibrations