Geometry & MOs

Info

ID:	351446
PubChem CID:	127280334
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-83.32
Dipole, Da:	7.04
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indazol-3-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3C=CC(=O)C4=CC=CC=C43

DOS

IR

Vibrations