Geometry & MOs

Info

ID:	184639
PubChem CID:	77186822
Reduced:	O2N5C24H37 (1)
Stoich.:	A2B5C24D37 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	4.32
IP(EA), eV:	-7.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-6-oxo-1,2,3,3a,4,5,7,7a-octahydroindazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC1C2CC(C(=O)CC2NN1)C(=O)N(C)C3=CC=C(C=C3)N4CCN(CC4)C

DOS

IR

Vibrations