Geometry & MOs

Info

ID:	374557
PubChem CID:	131331502
Reduced:	OSN2H4C9 (1)
Stoich.:	ABC2D4E9 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	63.26
Dipole, Da:	4.78
IP(EA), eV:	-9.28(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-hydroxypropan-2-yl)oxetane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(=O)C#N)SN=C2

DOS

IR

Vibrations