Geometry & MOs

Info

ID:	356759
PubChem CID:	127292299
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	4.44
Dipole, Da:	5.91
IP(EA), eV:	-9.05(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations