Geometry & MOs

Info

ID:	153890
PubChem CID:	56313225
Reduced:	FO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	459.181901
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	5.87
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations