Geometry & MOs

Info

ID:	183918
PubChem CID:	77089400
Reduced:	OF3N3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-198.62
Dipole, Da:	3.43
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]oxypyrimidine

Drug info:

PubChemData

Smile

CN1CCCCC1CC(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations