Geometry & MOs

Info

ID:	420449
PubChem CID:	135113187
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	282.161125
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	9.82
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)O)N=C1N3CCC[C@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations