Geometry & MOs

Info

ID:	375611
PubChem CID:	134214105
Reduced:	OSN5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	460.202302
ΔH_f, kcal/mol:	61.98
Dipole, Da:	6.59
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC(=NC=N2)NCCC3=C4C(=CC=C3)C(=CC=N4)C(=O)NC

DOS

IR

Vibrations