Geometry & MOs

Info

ID:	180363
PubChem CID:	76622083
Reduced:	O4N5F6H21C23 (1)
Stoich.:	A4B5C6D21E23 (1)
Weight, g/mol:	462.126338
ΔH_f, kcal/mol:	-395.96
Dipole, Da:	7.8
IP(EA), eV:	-9.3(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(N=C(O1)C2=C3C=CC(=NC3=C(C=C2)OC)C(F)(F)F)C(=O)NC4CCN(C4)C(=O)C(F)(F)F)N

DOS

IR

Vibrations