Geometry & MOs

Info

ID:	43112
PubChem CID:	10318629
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-2.22
Dipole, Da:	4.54
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(cyclopentylamino)-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1CCO)OC3=C2C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations