Geometry & MOs

Info

ID:	84678
PubChem CID:	49869289
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	288.163791
ΔH_f, kcal/mol:	-24.45
Dipole, Da:	4.25
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazatricyclo[4.3.1.13,8]undecan-4-yl-(4-fluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1CN3C(=O)CC4=CSC=C4

DOS

IR

Vibrations