Geometry & MOs

Info

ID:	286181
PubChem CID:	104158707
Reduced:	OSN3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	4.81
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propan-2-yloxybutylamino)cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NCCCCOC(C)C

DOS

IR

Vibrations