Geometry & MOs

Info

ID:	351621
PubChem CID:	127280513
Reduced:	O3N7C19H25 (1)
Stoich.:	A3B7C19D25 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	3.16
IP(EA), eV:	-9.12(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations