Geometry & MOs

Info

ID:	177964
PubChem CID:	76259074
Reduced:	FO3N5C27H30 (1)
Stoich.:	AB3C5D27E30 (1)
Weight, g/mol:	417.121237
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	4.86
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCCCC2N(C1=O)CC(=O)NC(CN3C=NC4=CC=CC=C43)C5=CC=C(C=C5)F

DOS

IR

Vibrations