Geometry & MOs

Info

ID:	333142
PubChem CID:	127251690
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	5.32
Dipole, Da:	5.93
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[[2-methyl-7-(4-propanoylmorpholin-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=CC=NC3=C(C(=NN23)C)CN4C=CN=C4C

DOS

IR

Vibrations