Geometry & MOs

Info

ID:	431179
PubChem CID:	135171249
Reduced:	FN4C30H37 (1)
Stoich.:	AB4C30D37 (1)
Weight, g/mol:	378.109483
ΔH_f, kcal/mol:	29.06
Dipole, Da:	2.94
IP(EA), eV:	-8.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CC1=CN=C(C=C1)/C(=C/CC)/NC2=CC=CC(=C2C)C3=C(C(=CC=C3)NC)F)C(=C)C

DOS

IR

Vibrations