Geometry & MOs

Info

ID:	345759
PubChem CID:	127270059
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	5.43
IP(EA), eV:	-8.65(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1C(=O)C3CCCCCC3

DOS

IR

Vibrations