Geometry & MOs

Info

ID:	332234
PubChem CID:	127250520
Reduced:	F2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	426.216809
ΔH_f, kcal/mol:	-171.66
Dipole, Da:	3.84
IP(EA), eV:	-9.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations