Geometry & MOs

Info

ID:	374633
PubChem CID:	131342060
Reduced:	NC8H17 (1)
Stoich.:	AB8C17 (1)
Weight, g/mol:	127.009185
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	2.21
IP(EA), eV:	-9.33(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxothietan-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)CC=CCN

DOS

IR

Vibrations