Geometry & MOs

Info

ID:	361929
PubChem CID:	127304925
Reduced:	FO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	394.169271
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	3.32
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CNC3=C2C=CC(=C3)F)C(=O)C4=CC5=C(C=C4)NC(=O)CC5

DOS

IR

Vibrations