Geometry & MOs

Info

ID:	333150
PubChem CID:	127251698
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	441.27399
ΔH_f, kcal/mol:	-85.98
Dipole, Da:	6.15
IP(EA), eV:	-8.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCC(CC3)O)C4CN(CCO4)C(=O)C5CCCC5

DOS

IR

Vibrations