Geometry & MOs

Info

ID:	363950
PubChem CID:	127313607
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	13.61
Dipole, Da:	7.23
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CN3C=NN=C3C=C2)C

DOS

IR

Vibrations