Geometry & MOs

Info

ID:	264353
PubChem CID:	103456666
Reduced:	N2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	198.071451
ΔH_f, kcal/mol:	-114.48
Dipole, Da:	1.41
IP(EA), eV:	-8.84(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(3-methylthiophen-2-yl)ethane-1,2-diol

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)OC)C(C(C(C)C)O)O

DOS

IR

Vibrations