Geometry & MOs

Info

ID:	153883
PubChem CID:	56313217
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	456.196154
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	7.73
IP(EA), eV:	-8.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCN(CC2)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations