Geometry & MOs

Info

ID:	378165
PubChem CID:	134224239
Reduced:	ClO2N7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	456.202222
ΔH_f, kcal/mol:	46.68
Dipole, Da:	3.62
IP(EA), eV:	-8.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-[[6-(diethylamino)pyridin-3-yl]amino]pyrimidin-4-yl]amino]phenyl]-2-imidazol-1-ylethane-1,2-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations