Geometry & MOs

Info

ID:	333149
PubChem CID:	127251697
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	5.91
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CN(CCO4)C(=O)C5CCCC5

DOS

IR

Vibrations