Geometry & MOs

Info

ID:	374205
PubChem CID:	131325448
Reduced:	IN2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	3.4
IP(EA), eV:	-9.73(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(aminomethyl)oxane-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1NC=N2)I)C(C(=O)O)O

DOS

IR

Vibrations