Geometry & MOs

Info

ID:	361701
PubChem CID:	127304416
Reduced:	FO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-98.88
Dipole, Da:	3.45
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CC(=O)NC4=C3C=CC(=C4)F

DOS

IR

Vibrations