Geometry & MOs

Info

ID:	176741
PubChem CID:	76091112
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	191.069477
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	6.26
IP(EA), eV:	-8.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyano(pyridin-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=NC(=O)N(C(=O)C21)CCC3CCN(CC3)CC4OCCO4

DOS

IR

Vibrations