Geometry & MOs

Info

ID:	137076
PubChem CID:	52149608
Reduced:	SN7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	294.067224
ΔH_f, kcal/mol:	122.85
Dipole, Da:	4.16
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methylamino]cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

CSC1=NNC2=C1C(=NC=N2)NCCCN3C=NC4=CC=CC=C43

DOS

IR

Vibrations