Geometry & MOs

Info

ID:	126484
PubChem CID:	50966297
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	5.43
IP(EA), eV:	-9.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N(C)CC2=CC(=NN2)C(C)(C)C)C

DOS

IR

Vibrations