Geometry & MOs

Info

ID:	308929
PubChem CID:	126531885
Reduced:	FO2N8C35H35 (1)
Stoich.:	AB2C8D35E35 (1)
Weight, g/mol:	464.152765
ΔH_f, kcal/mol:	61.87
Dipole, Da:	8.09
IP(EA), eV:	-8.67(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations