Geometry & MOs

Info

ID:	184632
PubChem CID:	77186815
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	427.294725
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	6.06
IP(EA), eV:	-8.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropyl)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroindazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2C3CC(C(=O)CC3NN2)C(=O)N(C)CC4=C(C(=CC=C4)OC)OC

DOS

IR

Vibrations