Geometry & MOs

Info

ID:	375607
PubChem CID:	134214098
Reduced:	F2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	442.191738
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	5.52
IP(EA), eV:	-8.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC=NC(=C1)C2=CN=C(C=C2)NC3CCN(CC3)CC(F)F

DOS

IR

Vibrations