Geometry & MOs

Info

ID:	346517
PubChem CID:	127271021
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	3.23
IP(EA), eV:	-9.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations