Geometry & MOs

Info

ID:	312278
PubChem CID:	126604059
Reduced:	FN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	440.197217
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	3.32
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-8-[(2R)-oxolan-2-yl]-1H-quinoxalin-2-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=C(C=CC=C3F)OC

DOS

IR

Vibrations