Geometry & MOs

Info

ID:	81060
PubChem CID:	49854300
Reduced:	O2N4F6H18C19 (1)
Stoich.:	A2B4C6D18E19 (1)
Weight, g/mol:	442.175339
ΔH_f, kcal/mol:	-324.92
Dipole, Da:	1.4
IP(EA), eV:	-9.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)CC3=C(C(=C(C=C3)F)F)F)N4CCOCC4

DOS

IR

Vibrations