Geometry & MOs

Info

ID:	426969
PubChem CID:	135154777
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	2.14
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C=C)C(=O)OC

DOS

IR

Vibrations