Geometry & MOs

Info

ID:	184635
PubChem CID:	77186818
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	4.02
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)CC2C3CC(C(=O)CC3NN2)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations