Geometry & MOs

Info

ID:	368585
PubChem CID:	127329583
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	319.169605
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	6.6
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCCN(C2)C3CCCN(C3=O)C4=C(C=C(C=C4)F)C

DOS

IR

Vibrations