Geometry & MOs

Info

ID:	227676
PubChem CID:	87562208
Reduced:	SN2O3F6H18C21 (1)
Stoich.:	AB2C3D6E18F21 (1)
Weight, g/mol:	160.14633
ΔH_f, kcal/mol:	-362.62
Dipole, Da:	5.03
IP(EA), eV:	-9.35(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethanol;prop-1-ene

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC(=C(C(=C1)OCC(F)(F)F)C2=CC3=NSN=C3C=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations