Geometry & MOs

Info

ID:	378324
PubChem CID:	134224402
Reduced:	ClO3N6H17C22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	475.152351
ΔH_f, kcal/mol:	19.03
Dipole, Da:	7.15
IP(EA), eV:	-8.6(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[3-(1-methylpyrazol-3-yl)anilino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C(=O)O)Cl

DOS

IR

Vibrations