Geometry & MOs

Info

ID:	293278
PubChem CID:	117381251
Reduced:	FNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-127.69
Dipole, Da:	2.04
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C2CCCNC2)C(=O)OC

DOS

IR

Vibrations