Geometry & MOs

Info

ID:	378190
PubChem CID:	134224266
Reduced:	ClO2N4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	475.152351
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	7.37
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[4-(1-methylpyrazol-3-yl)anilino]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=C2)Cl

DOS

IR

Vibrations