Geometry & MOs

Info

ID:	294286
PubChem CID:	117450112
Reduced:	FO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	280.158706
ΔH_f, kcal/mol:	-178.67
Dipole, Da:	4.54
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)F)OC)C2(CCCC2)C(=O)O

DOS

IR

Vibrations