Geometry & MOs

Info

ID:	330001
PubChem CID:	127246988
Reduced:	ON7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	44.27
Dipole, Da:	6.08
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-propylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCCC1C2=CN=CC(=N2)NC)N3C=NC=N3

DOS

IR

Vibrations