Geometry & MOs

Info

ID:	388064
PubChem CID:	134988020
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	185.087435
ΔH_f, kcal/mol:	-72.1
Dipole, Da:	1.35
IP(EA), eV:	-9.45(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-4-oxohexan-2-yl) thiocyanate

Drug info:

PubChemData

Smile

CCOC(=O)C/C(=C/C)/C1=CC=CC=C1

DOS

IR

Vibrations