Geometry & MOs

Info

ID:	416528
PubChem CID:	135089576
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	66.22
Dipole, Da:	5.41
IP(EA), eV:	-9.3(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)CC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations