Geometry & MOs

Info

ID:	271303
PubChem CID:	103654349
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	308.059504
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	4.59
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(trifluoromethylsulfanyl)anilino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=NC=CC(=C2)Cl)C

DOS

IR

Vibrations