Geometry & MOs

Info

ID:	378267
PubChem CID:	134224343
Reduced:	ClO2N4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	481.162915
ΔH_f, kcal/mol:	-12.62
Dipole, Da:	8.38
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC2=CC=CC=C2C(=O)C(=O)N(C)C)Cl

DOS

IR

Vibrations