Geometry & MOs

Info

ID:	126198
PubChem CID:	50955273
Reduced:	OF2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	6.99
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-trimethyl-N-(1-pyrazin-2-ylpropan-2-yl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CCN2C=NC(=C2C3=C(C=CC(=C3F)F)OC)C4=CC=CC=C4

DOS

IR

Vibrations