Geometry & MOs

Info

ID:	375604
PubChem CID:	134214088
Reduced:	ON7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	456.207388
ΔH_f, kcal/mol:	74.1
Dipole, Da:	3.39
IP(EA), eV:	-9.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[[6-(6-cyclobutylpyridin-3-yl)pyrimidin-4-yl]amino]ethyl]-5-fluoro-N-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)C2=CC(=NC=N2)NCCC3=C4C(=CC=C3)C(=CC=N4)C(=O)NC

DOS

IR

Vibrations