Geometry & MOs

Info

ID:	153479
PubChem CID:	56312702
Reduced:	FNOC7H8 (3)
Stoich.:	ABCD7E8 (3)
Weight, g/mol:	426.206719
ΔH_f, kcal/mol:	-235.72
Dipole, Da:	8.48
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=NC=C(C=C2)N3CCCC3)OCC(F)(F)F

DOS

IR

Vibrations