Geometry & MOs

Info

ID:	184633
PubChem CID:	77186816
Reduced:	O2N5C24H37 (1)
Stoich.:	A2B5C24D37 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	5.44
IP(EA), eV:	-8.18(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1C2CC(C(=O)CC2NN1)C(=O)N(C)C3=CC=CC(=C3)N4CCN(CC4)C

DOS

IR

Vibrations