Geometry & MOs

Info

ID:	378184
PubChem CID:	134224260
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	447.201888
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	4.45
IP(EA), eV:	-9.42(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[2-[[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]amino]phenyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

C/C=C(/C)\[C@]12CC(=O)N[C@]1(C2=C)C

DOS

IR

Vibrations