Geometry & MOs

Info

ID:	378160
PubChem CID:	134224234
Reduced:	ClO2N7H18C19 (1)
Stoich.:	AB2C7D18E19 (1)
Weight, g/mol:	463.152351
ΔH_f, kcal/mol:	27.32
Dipole, Da:	6.01
IP(EA), eV:	-8.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(1,2-dimethylbenzimidazol-5-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=CN=C(C=C3)N

DOS

IR

Vibrations