Geometry & MOs

Info

ID:	426985
PubChem CID:	135154870
Reduced:	O3N7C16H17 (1)
Stoich.:	A3B7C16D17 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	7.03
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-3-yl)-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C=C(N=N3)C(=O)O)NC

DOS

IR

Vibrations