Geometry & MOs

Info

ID:	40448
PubChem CID:	8144145
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	330.210742
ΔH_f, kcal/mol:	66.74
Dipole, Da:	3.88
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-N-[(E)-1-(4-fluorophenyl)butylideneamino]bicyclo[6.1.0]nonane-9-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations