Geometry & MOs

Info

ID:	272858
PubChem CID:	103762396
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	245.108565
ΔH_f, kcal/mol:	-24.31
Dipole, Da:	5.57
IP(EA), eV:	-9.59(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol

Drug info:

PubChemData

Smile

CCCC1(CC1)CNC(=O)C2=C(NN=C2C)C

DOS

IR

Vibrations