Geometry & MOs

Info

ID:	123235
PubChem CID:	50838880
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	2.41
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[3,4-c]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CN(C2=O)C(C)C(=O)N3CCN(CC3)C4=CC=CC=N4)C

DOS

IR

Vibrations