Geometry & MOs

Info

ID:	326615
PubChem CID:	126687890
Reduced:	N5O6C38H65 (1)
Stoich.:	A5B6C38D65 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-331.46
Dipole, Da:	0.98
IP(EA), eV:	-9.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclooctylmethyl 2-[(2,2-diaminoacetyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)NCC(=O)OC2CCCCCCCC2)N

DOS

IR

Vibrations