Geometry & MOs

Info

ID:	154618
PubChem CID:	56314090
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	456.217284
ΔH_f, kcal/mol:	-68.25
Dipole, Da:	0.78
IP(EA), eV:	-8.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations