Geometry & MOs

Info

ID:	308873
PubChem CID:	126531712
Reduced:	BrClFON4H13C17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	535.178646
ΔH_f, kcal/mol:	-14.33
Dipole, Da:	2.5
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]morpholin-3-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=N1)C(=O)N)F)NC2=C3C=C(C=CC3=NC=C2Cl)Br

DOS

IR

Vibrations