Geometry & MOs

Info

ID:	305942
PubChem CID:	124975201
Reduced:	FO2N6C24H27 (1)
Stoich.:	AB2C6D24E27 (1)
Weight, g/mol:	450.217952
ΔH_f, kcal/mol:	-15.33
Dipole, Da:	3.76
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1CC[C@@H](C1)N2C=C(C=N2)C(=O)N3CCC(CC3)C4=NC=CN=C4OC5=CC=C(C=C5)F

DOS

IR

Vibrations