Geometry & MOs

Info

ID:	30881
PubChem CID:	842099
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	341.079426
ΔH_f, kcal/mol:	10.45
Dipole, Da:	6.06
IP(EA), eV:	-9.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC(=O)C2=CC=C(S2)C

DOS

IR

Vibrations