Geometry & MOs

Info

ID:	85114
PubChem CID:	49871853
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	385.145122
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	5.69
IP(EA), eV:	-8.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[1-(6-fluoro-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3CCN(CC3)CC4=CC=CN4C

DOS

IR

Vibrations