Geometry & MOs

Info

ID:	293676
PubChem CID:	117396502
Reduced:	NF3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-142.5
Dipole, Da:	2.74
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C(=C1)F)F)CC2CCNCC2)F

DOS

IR

Vibrations