Geometry & MOs

Info

ID:	376051
PubChem CID:	134222052
Reduced:	ClNF7H15C19 (1)
Stoich.:	ABC7D15E19 (1)
Weight, g/mol:	455.193295
ΔH_f, kcal/mol:	-331.33
Dipole, Da:	3.41
IP(EA), eV:	-9.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-[2-[2-cyano-4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]anilino]ethenyl]carbamimidoyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)CN)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations