Geometry & MOs

Info

ID:	276931
PubChem CID:	103825847
Reduced:	FON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	352.02227
ΔH_f, kcal/mol:	-34.05
Dipole, Da:	5.29
IP(EA), eV:	-8.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-fluoropyridin-3-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNC2=CN=C(C=C2)F

DOS

IR

Vibrations