Geometry & MOs

Info

ID:	154737
PubChem CID:	56314253
Reduced:	FN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	428.164854
ΔH_f, kcal/mol:	-166.45
Dipole, Da:	3.75
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations