Geometry & MOs

Info

ID:	333687
PubChem CID:	127252239
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-48.41
Dipole, Da:	4.89
IP(EA), eV:	-9.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-4-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=C2)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations