Geometry & MOs

Info

ID:	378307
PubChem CID:	134224383
Reduced:	ClO4N7H18C22 (1)
Stoich.:	AB4C7D18E22 (1)
Weight, g/mol:	467.183651
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	9.07
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[[6-(diethylamino)pyridin-3-yl]amino]pyrimidin-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=CC4=C(C=C3)NC(=O)NC4=O

DOS

IR

Vibrations