Geometry & MOs

Info

ID:	84679
PubChem CID:	49869290
Reduced:	FON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	4.0
IP(EA), eV:	-8.78(-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(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CC3CC4CC2CN(C4)C3)F

DOS

IR

Vibrations