Geometry & MOs

Info

ID:	375610
PubChem CID:	134214103
Reduced:	F3N6C20H27 (1)
Stoich.:	A3B6C20D27 (1)
Weight, g/mol:	403.146681
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	1.69
IP(EA), eV:	-8.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-8-[2-[[6-(5-methylthiophen-2-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC=NC(=C1)C2=CN=C(C=C2)N(C)C3CCN(CC3)CC(F)(F)F

DOS

IR

Vibrations