Geometry & MOs

Info

ID:	333696
PubChem CID:	127252248
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-14.76
Dipole, Da:	5.59
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations