Geometry & MOs

Info

ID:	397844
PubChem CID:	135030833
Reduced:	NOSH15C24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	296.131349
ΔH_f, kcal/mol:	77.39
Dipole, Da:	1.08
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-(2-pyridin-2-ylphenyl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=O)C5=CC=CC=N5

DOS

IR

Vibrations