Geometry & MOs

Info

ID:	185089
PubChem CID:	77253624
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	2.08
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-[5-[(3,5-dimethylpiperazin-1-yl)methyl]pyridin-2-yl]pyridin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=CC=C(C=C2)C(C)N

DOS

IR

Vibrations