Geometry & MOs

Info

ID:	343059
PubChem CID:	127266232
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	390.187875
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	4.29
IP(EA), eV:	-9.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2(CCOCC2)NC(=O)C3CCCCC4=CC=CC=C34

DOS

IR

Vibrations