Geometry & MOs

Info

ID:	347149
PubChem CID:	127271690
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	6.54
IP(EA), eV:	-8.87(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)C2=CN(N=C2C3CCCCC3)C

DOS

IR

Vibrations