Geometry & MOs

Info

ID:	80986
PubChem CID:	49854220
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	327.231063
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	3.07
IP(EA), eV:	-8.5(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C34CC3CN(C4)CC

DOS

IR

Vibrations