Geometry & MOs

Info

ID:	69260
PubChem CID:	46530540
Reduced:	FON6H23C28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	483.15291
ΔH_f, kcal/mol:	88.82
Dipole, Da:	5.0
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations