Geometry & MOs

Info

ID:	377841
PubChem CID:	134223906
Reduced:	NS2H29C43 (1)
Stoich.:	AB2C29D43 (1)
Weight, g/mol:	285.108897
ΔH_f, kcal/mol:	174.13
Dipole, Da:	1.02
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1,1,1-trifluoro-3-[1-[(6-methylpyridin-3-yl)methyl]imidazolidin-2-ylidene]propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=C(C=CC=C2C3=NC(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56)C7=CC=CC8=C7SC9=CC=CC=C89

DOS

IR

Vibrations