Geometry & MOs

Info

ID:	363077
PubChem CID:	127310108
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	11.12
Dipole, Da:	5.53
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC=C4CCC5=C4C3=CC=C5

DOS

IR

Vibrations