Geometry & MOs

Info

ID:	161678
PubChem CID:	57392308
Reduced:	NO3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	-183.33
Dipole, Da:	2.12
IP(EA), eV:	-9.48(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCOC[C@@H]1[C@H]([C@H](CN1)O)O

DOS

IR

Vibrations