Geometry & MOs

Info

ID:	436963
PubChem CID:	135213360
Reduced:	IN2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	531.498845
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	5.16
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2R)-5-(4-propan-2-ylpiperazin-2-yl)hexan-2-yl]-6-[2-[4-(pyrrolidin-1-ylmethyl)piperazin-1-yl]propyl]-4,7-diazaspiro[2.5]octane

Drug info:

PubChemData

Smile

C[C@@H](N1CCNC(C1)(C)C)I

DOS

IR

Vibrations