Geometry & MOs

Info

ID:	188820
PubChem CID:	77770873
Reduced:	O2N3C22H37 (1)
Stoich.:	A2B3C22D37 (1)
Weight, g/mol:	436.257337
ΔH_f, kcal/mol:	-112.74
Dipole, Da:	4.15
IP(EA), eV:	-8.93(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-cyclohexylbutanoic acid;2-(2-carboxyethylamino)-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCN(C1)CCNCCCCC2=CC=CC=C2

DOS

IR

Vibrations