Geometry & MOs

Info

ID:	437110
PubChem CID:	135214896
Reduced:	NOC38H43 (1)
Stoich.:	ABC38D43 (1)
Weight, g/mol:	539.239121
ΔH_f, kcal/mol:	9.49
Dipole, Da:	3.45
IP(EA), eV:	-8.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[2-chloro-4-[4-(4-pentylphenyl)phenyl]phenyl]-3-fluorophenyl]ethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCN(C)C(=O)C=C)C)C

DOS

IR

Vibrations