Geometry & MOs

Info

ID:	378299
PubChem CID:	134224375
Reduced:	ClC3N3H6 (1)
Stoich.:	AB3C3D6 (1)
Weight, g/mol:	524.193881
ΔH_f, kcal/mol:	21.6
Dipole, Da:	5.18
IP(EA), eV:	-8.8(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]methyl]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C(=N)C(=C(N)N)Cl

DOS

IR

Vibrations