Geometry & MOs

Info

ID:	440712
PubChem CID:	135231077
Reduced:	NF3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	191.076871
ΔH_f, kcal/mol:	-145.83
Dipole, Da:	2.36
IP(EA), eV:	-10.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-2-propan-2-ylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=N1)C(C)(F)F)F

DOS

IR

Vibrations