Geometry & MOs

Info

ID:	305941
PubChem CID:	124975200
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	450.217952
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	2.14
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCO[C@H](C2)C3=NC=CN=C3N(C)C

DOS

IR

Vibrations