Geometry & MOs

Info

ID:	182783
PubChem CID:	76938199
Reduced:	ClNSO3C9H10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	6.96
IP(EA), eV:	-9.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-but-2-enoxyhexan-2-one

Drug info:

PubChemData

Smile

CC=CCOC1=NC(=C(S1)C(=O)OC)Cl

DOS

IR

Vibrations