Geometry & MOs

Info

ID:	306235
PubChem CID:	125003151
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	-147.54
Dipole, Da:	6.56
IP(EA), eV:	-9.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCC3(CC2)[C@@H](CCCO3)OC

DOS

IR

Vibrations