Geometry & MOs

Info

ID:	161269
PubChem CID:	57391212
Reduced:	O3N4F6H16C22 (1)
Stoich.:	A3B4C6D16E22 (1)
Weight, g/mol:	512.128309
ΔH_f, kcal/mol:	-306.11
Dipole, Da:	3.49
IP(EA), eV:	-9.15(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C=N1

DOS

IR

Vibrations