Geometry & MOs

Info

ID:	363972
PubChem CID:	127313641
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-33.39
Dipole, Da:	4.07
IP(EA), eV:	-9.26(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CCCC(C2)(C)C)C

DOS

IR

Vibrations