Geometry & MOs

Info

ID:	363943
PubChem CID:	127313600
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	4.24
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=COC(=C2)Br)C

DOS

IR

Vibrations