Geometry & MOs

Info

ID:	443304
PubChem CID:	135258493
Reduced:	ClON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	612.127499
ΔH_f, kcal/mol:	27.68
Dipole, Da:	2.62
IP(EA), eV:	-8.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]benzoate

Drug info:

PubChemData

Smile

C=C(N)N/N=C\1/CCOC2=C1N=CC(=C2)Cl

DOS

IR

Vibrations