Geometry & MOs

Info

ID:	242314
PubChem CID:	96099846
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	5.64
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(methylaminomethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)[C@@H](C)C(=O)N2CCC[C@@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations