Geometry & MOs

Info

ID:	338550
PubChem CID:	127259265
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	183.0354
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	7.33
IP(EA), eV:	-9.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-ethyl-5-methyl-2-oxo-1,3-oxathiolan-4-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CC(=O)OCCCCOC1=CC=CC=C1C(=O)N

DOS

IR

Vibrations