Geometry & MOs

Info

ID:	261786
PubChem CID:	103250605
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	4.72
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(6-methoxypyridin-3-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations