Geometry & MOs

Info

ID:	177740
PubChem CID:	76222701
Reduced:	N2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	1.55
IP(EA), eV:	-9.08(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(2-aminopyridin-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)C(CC#N)N

DOS

IR

Vibrations