Geometry & MOs

Info

ID:	437387
PubChem CID:	135226196
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	481.225994
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	0.85
IP(EA), eV:	-9.71(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-[3-(2,3-dihydrothiophene-5-carbonylamino)propylamino]-5-methylpyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1C2C(CO1)OC(O2)(C)C

DOS

IR

Vibrations