Geometry & MOs

Info

ID:	421963
PubChem CID:	135116918
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	1.23
Dipole, Da:	3.91
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CC4=CSC=C4

DOS

IR

Vibrations