Geometry & MOs

Info

ID:	209816
PubChem CID:	80725786
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	282.088353
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	5.99
IP(EA), eV:	-9.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CN2CC3CNCCN3C(=O)C2=O

DOS

IR

Vibrations