Geometry & MOs

Info

ID:	31283
PubChem CID:	855525
Reduced:	NOH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	318.082684
ΔH_f, kcal/mol:	24.96
Dipole, Da:	4.98
IP(EA), eV:	-8.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-phenacylsulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C#N)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations