Geometry & MOs

Info

ID:	378166
PubChem CID:	134224240
Reduced:	ON4C12H12 (2)
Stoich.:	AB4C12D12 (2)
Weight, g/mol:	453.131615
ΔH_f, kcal/mol:	68.14
Dipole, Da:	8.21
IP(EA), eV:	-8.31(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)C(=O)N4C=CN=C4

DOS

IR

Vibrations