Geometry & MOs

Info

ID:	376058
PubChem CID:	134222060
Reduced:	OCl2F3N4H19C22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	500.184226
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	5.67
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-2-(6-methylpyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

CNCC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C=C2)N3C=CC(=NC3=O)N)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations