Geometry & MOs

Info

ID:	333674
PubChem CID:	127252226
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	5.93
IP(EA), eV:	-8.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholin-4-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CN(CCO4)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations