Geometry & MOs

Info

ID:	369276
PubChem CID:	127332030
Reduced:	ClON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	319.169605
ΔH_f, kcal/mol:	14.68
Dipole, Da:	6.25
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)N2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations