Geometry & MOs

Info

ID:	358776
PubChem CID:	127296642
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	4.4
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=O)NC1=O)C(=O)N2CCC(=C)CC2

DOS

IR

Vibrations