Geometry & MOs

Info

ID:	208938
PubChem CID:	80605628
Reduced:	NOF2C6H13 (1)
Stoich.:	ABC2D6E13 (1)
Weight, g/mol:	257.122735
ΔH_f, kcal/mol:	-155.76
Dipole, Da:	2.17
IP(EA), eV:	-9.19(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,1-difluoro-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(COC)(C(F)F)NC

DOS

IR

Vibrations