Geometry & MOs

Info

ID:	293999
PubChem CID:	117421546
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	7.73
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)CC1=C(C(=CC(=C1)F)C2(CC2)CC(=O)O)O

DOS

IR

Vibrations