Geometry & MOs

Info

ID:	431304
PubChem CID:	135171375
Reduced:	FO3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	422.05897
ΔH_f, kcal/mol:	-74.8
Dipole, Da:	6.87
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)OC2CCN(CC2)C3=NC(=C(C=C3)C(=O)NCC4=CC=NC=C4)F

DOS

IR

Vibrations