Geometry & MOs

Info

ID:	153598
PubChem CID:	56312856
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	415.144453
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	3.22
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)N(C)C

DOS

IR

Vibrations