Geometry & MOs

Info

ID:	257161
PubChem CID:	103144121
Reduced:	NF3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	3.99
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC=C2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations