Geometry & MOs

Info

ID:	357279
PubChem CID:	127293912
Reduced:	O2F3N4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	368.14601
ΔH_f, kcal/mol:	-185.11
Dipole, Da:	7.59
IP(EA), eV:	-9.05(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(F)(F)F

DOS

IR

Vibrations