Geometry & MOs

Info

ID:	137083
PubChem CID:	52150172
Reduced:	N5H17C20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	288.137497
ΔH_f, kcal/mol:	127.99
Dipole, Da:	10.58
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[[(1S)-1-phenylethyl]amino]cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=NC(=C2NCCC3=CNC4=CC=CC=C43)C#N

DOS

IR

Vibrations