Geometry & MOs

Info

ID:	180362
PubChem CID:	76621463
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	545.149773
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	4.3
IP(EA), eV:	-8.66(0.14)
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-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=NN)C

DOS

IR

Vibrations