Geometry & MOs

Info

ID:	154176
PubChem CID:	56313579
Reduced:	ON5F6C19H21 (1)
Stoich.:	AB5C6D19E21 (1)
Weight, g/mol:	413.153955
ΔH_f, kcal/mol:	-301.67
Dipole, Da:	8.15
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations