Geometry & MOs

Info

ID:	326612
PubChem CID:	126687886
Reduced:	N2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	447.273321
ΔH_f, kcal/mol:	30.98
Dipole, Da:	1.49
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclononyl 2-[[(2R)-2-[[(2R)-2-amino-3-phenylmethoxypropanoyl]amino]propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCC[C@@H]1CC2=C(C=CC=N2)N=C1

DOS

IR

Vibrations