Geometry & MOs

Info

ID:	340994
PubChem CID:	127263429
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	6.86
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)C=NN3C4CCCCO4

DOS

IR

Vibrations