Geometry & MOs

Info

ID:	293365
PubChem CID:	117386159
Reduced:	FNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	1.39
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)O)F)C2(CCCCC2)CN

DOS

IR

Vibrations