Geometry & MOs

Info

ID:	328513
PubChem CID:	126723981
Reduced:	ClNOSF3H19C20 (1)
Stoich.:	ABCDE3F19G20 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	11.05
IP(EA), eV:	-7.55(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pent-4-ynoxyacetonitrile

Drug info:

PubChemData

Smile

CS(C)(C)C#CC1=CC=CC(=C1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations