Geometry & MOs

Info

ID:	153292
PubChem CID:	56312470
Reduced:	N2O3F6C19H24 (1)
Stoich.:	A2B3C6D19E24 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-428.84
Dipole, Da:	6.17
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCN(CC2)CC(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations