Geometry & MOs

Info

ID:	229235
PubChem CID:	87567232
Reduced:	OS2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	208.131074
ΔH_f, kcal/mol:	45.27
Dipole, Da:	2.13
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propane-1,2-diol;2-propoxypropanoic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NN(C=C2)CC3=CSC=N3

DOS

IR

Vibrations