Geometry & MOs

Info

ID:	426815
PubChem CID:	135154008
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	36.06
Dipole, Da:	6.71
IP(EA), eV:	-8.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(C=C3)NC=C4)C(=O)NCC5=CC=NC=C5

DOS

IR

Vibrations