Geometry & MOs

Info

ID:	378159
PubChem CID:	134224233
Reduced:	ClO3N6H19C21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	411.121051
ΔH_f, kcal/mol:	-23.43
Dipole, Da:	5.49
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[(6-aminopyridin-3-yl)amino]-5-chloropyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations