Geometry & MOs

Info

ID:	344067
PubChem CID:	127267243
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	340.11471
ΔH_f, kcal/mol:	67.96
Dipole, Da:	3.75
IP(EA), eV:	-8.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CC2)NC(=O)NCC3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations