Geometry & MOs

Info

ID:	339178
PubChem CID:	127260557
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	3.8
IP(EA), eV:	-9.22(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohex-2-en-1-yl-2-[[(2S)-2-formamidopropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C(=O)[C@@H]2CCCN2)C(C)(C)C(=O)N

DOS

IR

Vibrations