Geometry & MOs

Info

ID:	196584
PubChem CID:	78850850
Reduced:	ClOSN5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	321.093185
ΔH_f, kcal/mol:	90.08
Dipole, Da:	3.8
IP(EA), eV:	-8.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-3-fluoro-4-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations