Geometry & MOs

Info

ID:	378321
PubChem CID:	134224398
Reduced:	ClO3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	476.1476
ΔH_f, kcal/mol:	-18.57
Dipole, Da:	4.05
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[[6-(1-methylpyrazol-3-yl)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)NCCO4

DOS

IR

Vibrations