Geometry & MOs

Info

ID:	31285
PubChem CID:	855527
Reduced:	OSN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	290.105528
ΔH_f, kcal/mol:	43.28
Dipole, Da:	8.68
IP(EA), eV:	-8.54(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenoxy)-6-methylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=C(C=C3C=C(C=CC3=N2)C)C#N

DOS

IR

Vibrations