Geometry & MOs

Info

ID:	308875
PubChem CID:	126531721
Reduced:	ClFO3N5H27C28 (1)
Stoich.:	ABC3D5E27F28 (1)
Weight, g/mol:	398.187339
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	7.87
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-(4-methylpentan-2-ylamino)quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)N2CCOCC2=O)F)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations