Geometry & MOs

Info

ID:	430253
PubChem CID:	135170317
Reduced:	N3C25H35 (1)
Stoich.:	A3B25C35 (1)
Weight, g/mol:	328.105705
ΔH_f, kcal/mol:	14.78
Dipole, Da:	3.22
IP(EA), eV:	-8.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7R)-8-[(3,4-difluorophenyl)sulfonylmethyl]-4,10-diazatricyclo[5.2.1.02,6]decane

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCC2=CC3=C(C=C2)C4=C(CCC4)C(=N3)NCC5CCC5

DOS

IR

Vibrations