Geometry & MOs

Info

ID:	261398
PubChem CID:	103230765
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	5.25
IP(EA), eV:	-8.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-[(6-methoxypyridin-3-yl)amino]acetic acid

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations