Geometry & MOs

Info

ID:	378264
PubChem CID:	134224340
Reduced:	FN4O4H29C31 (1)
Stoich.:	AB4C4D29E31 (1)
Weight, g/mol:	461.217538
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	4.95
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[2-[[5-methyl-2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]amino]phenyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1C3=CC(=CC=C3)C(=O)NC(C)(C)C4=NOC=N4)C(=C(O2)C5=CC=C(C=C5)F)C(=O)NC

DOS

IR

Vibrations