Geometry & MOs

Info

ID:	180364
PubChem CID:	76622169
Reduced:	F3O4N6H17C20 (1)
Stoich.:	A3B4C6D17E20 (1)
Weight, g/mol:	493.193689
ΔH_f, kcal/mol:	-165.17
Dipole, Da:	3.74
IP(EA), eV:	-9.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethyl)-N-[3-(dimethylamino)-2-methyl-3-oxopropyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-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)NCC4=NOC=N4)N

DOS

IR

Vibrations