Geometry & MOs

Info

ID:	338704
PubChem CID:	127259715
Reduced:	NOH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	359.095555
ΔH_f, kcal/mol:	24.84
Dipole, Da:	2.61
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-phenyl-2-(trifluoromethyl)phenyl]methylsulfanyl]aniline

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/C2=CC=C(C=C2)N

DOS

IR

Vibrations