Geometry & MOs

Info

ID:	378323
PubChem CID:	134224401
Reduced:	ClO2N6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	448.105066
ΔH_f, kcal/mol:	13.01
Dipole, Da:	3.45
IP(EA), eV:	-8.59(-1.13)
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]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(CNCC4)C=C3

DOS

IR

Vibrations