Geometry & MOs

Info

ID:	157991
PubChem CID:	56459380
Reduced:	OF2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-90.8
Dipole, Da:	3.31
IP(EA), eV:	-9.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)F)C3=CC=CC=C3

DOS

IR

Vibrations