Geometry & MOs

Info

ID:	363146
PubChem CID:	127310179
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	3.62
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations