Geometry & MOs

Info

ID:	284298
PubChem CID:	104040972
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	7.89
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpiperidin-2-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCCN1)C(=O)NC2=CN=C(C=C2)Br

DOS

IR

Vibrations