Geometry & MOs

Info

ID:	263869
PubChem CID:	103403174
Reduced:	ClNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	218.151809
ΔH_f, kcal/mol:	-108.96
Dipole, Da:	2.41
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methoxyethoxy)propoxy]pentan-3-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)C2=C(C(=CS2)C)Cl)O

DOS

IR

Vibrations