Geometry & MOs

Info

ID:	282382
PubChem CID:	103924435
Reduced:	OF2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	185.123821
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	3.8
IP(EA), eV:	-9.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylbutan-2-ylsulfanyl)pentanenitrile

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)N)/C1=C(C(=CC=C1)F)F

DOS

IR

Vibrations