Geometry & MOs

Info

ID:	368587
PubChem CID:	127329585
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	8.99
IP(EA), eV:	-9.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-3-(4-pyridazin-3-yl-1,4-diazepan-1-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations