Geometry & MOs

Info

ID:	366876
PubChem CID:	127321778
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	3.97
IP(EA), eV:	-9.01(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=NNC3=C2CCC3

DOS

IR

Vibrations