Geometry & MOs

Info

ID:	294850
PubChem CID:	117500302
Reduced:	ClFN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	314.119734
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	6.35
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1CC(CC1C2=C3C(=CC(=C2F)Cl)OCCCO3)CN

DOS

IR

Vibrations