Geometry & MOs

Info

ID:	361729
PubChem CID:	127304544
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	5.37
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CN3C=CC4=C3C=C(C=C4)Cl)C

DOS

IR

Vibrations